Cyclopentanol, 1,1'-(1,3-butadiyne-1,4-diyl)bis-
Basic information
- CAS
7179-09-1- Standard SMILES
OC1(C#CC#CC2(O)CCCC2)CCCC1- InChIKey
UOUCEWJFYFFIKW-UHFFFAOYSA-N- Molecular formula
- C14H18O2
- Average molar mass
- 218.29 g/mol
- Monoisotopic mass
- 218.13067981
Names & identifiers
- Preferred name
- Cyclopentanol, 1,1'-(1,3-butadiyne-1,4-diyl)bis-
- IUPAC
- 1-[4-(1-hydroxycyclopentyl)buta-1,3-diynyl]cyclopentan-1-ol
- English name
- 1,4-Bis(1-hydroxycyclopentyl)-1,3-butadiyne
- Molecular formula
- C14H18O2
- Molecular weight
- 218.29
Names & synonyms
Cyclopentanol, 1,1'-(1,3-butadiyne-1,4-diyl)bis-7179-09-1DTXSID1064586RefChem:581008DTXCID5047116104766-62-31-[4-(1-hydroxycyclopentyl)buta-1,3-diynyl]cyclopentan-1-ol1,1'-(Buta-1,3-diyne-1,4-diyl)di(cyclopentan-1-ol)1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne1-[4-(hydroxycyclopentyl)buta-1,3-diynyl]cyclopentan-1-olSCHEMBL6738709SBB057881
Show more names
LABOTEST-BB LT004541291,4-BIS(1-HYDROXYCYCLOPENTYL)BUTADIYNE1,4-Bis(1-hydroxycyclopentyl)-1,3-butadiyne1,1'-(1,3-Butadiyne-1,4-diyl)biscyclopentanol1,1'-(1,3-Butanediyne-1,4-diyl)biscyclopentanol1,1'-(1,3-Butadiyne-1,4-diyl)bis(1-cyclopentanol)1,4-Bis(1-hydroxycyclopentyl)-1,3-butadiyne, 98+%1,1'-(1,3-Butadiyne-1,4-diyl)bis(cyclopentane-1-ol)
STK686517AKOS005599707ST4119331ST504080701,1'-buta-1,3-diyne-1,4-diyldicyclopentanol1,4-Bis(1'-hydroxycyclopentyl)-1,3-butadiyne1,1'-(Buta-1,3-diyne-1,4-diyl)dicyclopentanol
Database identifiers
- CAS
7179-09-1- PubChem CID
- 81606
- DTXSID
DTXSID1064586- Nikkaji
- J421.844B
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 343
Physicochemical properties
- Melting point
- 134 · 134-136°C
- EPA Substance Registry System
- 1 · Cyclopentanol, 1,1'-(1,3-butadiyne-1,4-diyl)bis- (7179-09-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclopentanol, 1,1'-(1,3-butadiyne-1,4-diyl)bis-: INACTIVE
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Related reactions
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Compound notes
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