Basic information
- CAS
16813-18-6- Standard SMILES
CCCCCCCCCCCCCCCC(C)O- InChIKey
ZNYQHFLBAPNPRC-UHFFFAOYSA-N- Molecular formula
- C17H36O
- Average molar mass
- 256.5 g/mol
- Monoisotopic mass
- 256.27661577
Overview
Heptadecan-2-ol is a secondary fatty alcohol that is heptadecane substituted by a hydroxy group at position 2. It has a role as an animal metabolite, a plant metabolite and a bacterial metabolite. It is a secondary fatty alcohol and a heptadecanol.
Names & identifiers
- Preferred name
- Heptadecan-2-ol
- IUPAC
- heptadecan-2-ol
- English name
- 2-Heptadecanol.
- Molecular formula
- C17H36O
- Molecular weight
- 256.47
Names & synonyms
heptadecan-2-olRefChem:10864172-Heptadecanol16813-18-62-Heptadecanol.NSC876062-hydroxyheptadecaneSCHEMBL380053SCHEMBL3610140SCHEMBL5708995DTXSID10871268CHEBI:197400
Show more names
LMFA05000531MFCD34601810NSC-87606F87172F980119
Database identifiers
- CAS
16813-18-6、57289-07-3- PubChem CID
- 42263
- DTXSID
DTXSID10871268- ChEBI
CHEBI:197400- Nikkaji
- J108.572G
Properties
Computed structural properties
- XLogP
- 7.8
- 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
- 145
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- 44.5 °C · 44.5°C
- Boiling point
- 329.71 °C · 329.71°C (estimate)
- Density
- 0.8406 · 0.8406 (estimate)
- refractive index
- 1.4407 · 1.4407
- pka
- 15.26 · 15.26±0.20(Predicted)
- Henry's Law Constant
- 8.7 · 8.7×10-3 mol/(m3Pa) at 25℃, Yaws (2003)
- LogP
- 7.6 · 7.600 (est)
Chemistry & industry
Suppliers7 total
郑州汇聚化工有限公司13393710386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
成都格里迈特医药技术有限公司17308078590; 15928855497 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
Wuhan Topule Biopharmaceutical Co., Ltd+86-18327326525 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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