cis-(1R,2S)-2-(3-hydroxyprop-1-ynyl)cyclohexan-1-ol

C9H14O2 — CID 130905013

IUPACcis-(1R,2S)-2-(3-hydroxyprop-1-ynyl)cyclohexan-1-ol
SMILESOCC#C[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C9H14O2/c10-7-3-5-8-4-1-2-6-9(8)11/h8-11H,1-2,4,6-7H2/t8-,9+/m0/s1
InChIKeyYMJOVCMFRMMHAB-DTWKUNHWSA-N
MW154.21 g/mol
LogP0.53
Rot. Bonds

About cis-(1R,2S)-2-(3-hydroxyprop-1-ynyl)cyclohexan-1-ol

cis-(1R,2S)-2-(3-hydroxyprop-1-ynyl)cyclohexan-1-ol (PubChem CID 130905013) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is cis-(1R,2S)-2-(3-hydroxyprop-1-ynyl)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-(3-hydroxyprop-1-ynyl)cyclohexan-1-ol
PubChem CID130905013
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Namecis-(1R,2S)-2-(3-hydroxyprop-1-ynyl)cyclohexan-1-ol
SMILESOCC#C[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C9H14O2/c10-7-3-5-8-4-1-2-6-9(8)11/h8-11H,1-2,4,6-7H2/t8-,9+/m0/s1
InChIKeyYMJOVCMFRMMHAB-DTWKUNHWSA-N
XLogP0.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-pent-1-ynylcyclohexan-1-ol
CID 102275152
cis-(1S,2R)-2-ethynylcyclohexan-1-ol
CID 11469076
2-hydroxycyclohexane-1-carbonitrile
CID 543100
(1R)-2-(2-trimethylsilylethynyl)cyclopentan-1-ol
CID 59467082
bis(2-hydroxycyclohexane-1-carbonitrile);platinum(2+);dichloride
CID 25004234
trans-(1S,2S)-cyclohexane-1,2-diol;trans-(1R,2R)-cyclohexane-1,2-diol
CID 121492980
2-[2-(2-methylcyclohexen-1-yl)ethynyl]cyclohexan-1-ol
CID 82254305
1-[4-(2-hydroxycyclohexyl)buta-1,3-diynyl]cyclohexan-1-ol
CID 102030705
cis-(1S,2R)-2-(2-thiophen-2-ylethynyl)cyclohexan-1-ol
CID 126847481
trans-(1S,2S)-cyclooctane-1,2-diol
CID 7273013
cycloundecane-1,2-diol
CID 67185134
cyclohexane-1,2-diol;ethane;propane
CID 143149782

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(3-hydroxyprop-1-ynyl)cyclohexan-1-ol?
The IUPAC name of cis-(1R,2S)-2-(3-hydroxyprop-1-ynyl)cyclohexan-1-ol (CID 130905013) is cis-(1R,2S)-2-(3-hydroxyprop-1-ynyl)cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-(3-hydroxyprop-1-ynyl)cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-(3-hydroxyprop-1-ynyl)cyclohexan-1-ol is OCC#C[C@@H]1CCCC[C@H]1O.
What is the InChIKey of cis-(1R,2S)-2-(3-hydroxyprop-1-ynyl)cyclohexan-1-ol?
The InChIKey is YMJOVCMFRMMHAB-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H14O2/c10-7-3-5-8-4-1-2-6-9(8)11/h8-11H,1-2,4,6-7H2/t8-,9+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(3-hydroxyprop-1-ynyl)cyclohexan-1-ol?
cis-(1R,2S)-2-(3-hydroxyprop-1-ynyl)cyclohexan-1-ol has a molecular weight of 154.21 g/mol, XLogP of 0.53, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(3-hydroxyprop-1-ynyl)cyclohexan-1-ol is sourced from PubChem (CID 130905013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).