Basic information
- Standard SMILES
CC(C)CCCCCCCCCCCCCCO- InChIKey
VWIXGTHYBZXAPS-UHFFFAOYSA-N- Molecular formula
- C17H36O
- Average molar mass
- 256.5 g/mol
- Monoisotopic mass
- 256.27661577
Overview
15-methylhexadecan-1-ol is a long-chain fatty alcohol that is hexadecan-1-ol bearing a methyl substituent at position 15. It is a long-chain primary fatty alcohol and a fatty alcohol 17:0.
Names & identifiers
- Preferred name
- Isoheptadecanol
- IUPAC
- 15-methylhexadecan-1-ol
- English name
- 15-methylhexadecan-1-ol
- Molecular formula
- C17H36O
- Molecular weight
- 256.47
Names & synonyms
ISOHEPTADECANOLDTXSID30339714RefChem:1087556DTXCID3029079557289-07-315-methylhexadecan-1-ol51166-20-215-methyl hexadecan-1-ol15-methylhexadecanol15-Methyl-1-hexadecanolSCHEMBL351750SCHEMBL3094249
Show more names
1-Hexadecanol, 15-methyl-15-methyl hexadecan-1-ol（WS204656）
CHEBI:77434LMFA05000781MFCD31652808AKOS037645194AS-58258BP-14101DB-147373CS-0059805
Database identifiers
- CAS
51166-20-2、57289-07-3- PubChem CID
- 558024
- DTXSID
DTXSID30339714- ChEBI
CHEBI:77434
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 14
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 143
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
Physicochemical properties
- Melting point
- 36 · 36-38 °C
- Boiling point
- 156 °C · 156 °C(Press: 0.5 Torr)
- Density
- 0.835 · 0.835±0.06 g/cm3(Predicted)
- pka
- 15.2 · 15.20±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers10 total
武汉布林科技有限公司3456065315 13260619011 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
江苏和如化工贸易有限公司18851404566(1497685734) · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Additional notes
DefinitionChEBI: 15-methylhexadecan-1-ol is a long-chain fatty alcohol that is hexadecan-1-ol bearing a methyl substituent at position 15. It is a long-chain primary fatty alcohol and a fatty alcohol 17:0.
Related reactions
2 records
Linked notes
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