[(1R)-cyclohex-2-en-1-yl]methanediol;ethane

C9H18O2 — CID 143031665

IUPAC[(1R)-cyclohex-2-en-1-yl]methanediol;ethane
SMILESCC.OC(O)[C@H]1C=CCCC1
InChIInChI=1S/C7H12O2.C2H6/c8-7(9)6-4-2-1-3-5-6;1-2/h2,4,6-9H,1,3,5H2;1-2H3/t6-;/m0./s1
InChIKeyXKSWZHXHFLJTEJ-RGMNGODLSA-N
MW158.24 g/mol
LogP1.68
Rot. Bonds1

About [(1R)-cyclohex-2-en-1-yl]methanediol;ethane

[(1R)-cyclohex-2-en-1-yl]methanediol;ethane (PubChem CID 143031665) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is [(1R)-cyclohex-2-en-1-yl]methanediol;ethane.

Molecular Properties

Compound Name[(1R)-cyclohex-2-en-1-yl]methanediol;ethane
PubChem CID143031665
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name[(1R)-cyclohex-2-en-1-yl]methanediol;ethane
SMILESCC.OC(O)[C@H]1C=CCCC1
InChIInChI=1S/C7H12O2.C2H6/c8-7(9)6-4-2-1-3-5-6;1-2/h2,4,6-9H,1,3,5H2;1-2H3/t6-;/m0./s1
InChIKeyXKSWZHXHFLJTEJ-RGMNGODLSA-N
XLogP1.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,2S)-1,2-bis[(1R)-cyclohex-2-en-1-yl]ethane-1,2-diol
CID 10900215
[(1S)-cyclopent-2-en-1-yl]methanediol
CID 134407008
1-cyclohex-2-en-1-ylbut-2-en-1-ol
CID 163436872
methyl (2R)-2-[(1R)-cyclohex-2-en-1-yl]-2-hydroxyacetate
CID 11137554
(1S)-1-[(1S,2Z)-cyclonon-2-en-1-yl]propan-1-ol
CID 11030459
2-cyclohex-2-en-1-ylpropanedioic acid
CID 12510753
(S)-[(1S)-cyclohex-2-en-1-yl]-phenylmethanol
CID 7057143
2-bromo-2-cyclohex-2-en-1-ylacetic acid
CID 154609477
3-amino-3-cyclohex-2-en-1-ylpropan-1-ol
CID 68852884
methanol;3-methylcyclohexene;propan-2-ol
CID 142978987
4-cyclohex-2-en-1-yl-2-methylpentanoic acid
CID 22395768
ethane;3-methylcyclohexene
CID 145337562

Frequently Asked Questions

What is the IUPAC name of [(1R)-cyclohex-2-en-1-yl]methanediol;ethane?
The IUPAC name of [(1R)-cyclohex-2-en-1-yl]methanediol;ethane (CID 143031665) is [(1R)-cyclohex-2-en-1-yl]methanediol;ethane.
What is the SMILES notation for [(1R)-cyclohex-2-en-1-yl]methanediol;ethane?
The canonical SMILES for [(1R)-cyclohex-2-en-1-yl]methanediol;ethane is CC.OC(O)[C@H]1C=CCCC1.
What is the InChIKey of [(1R)-cyclohex-2-en-1-yl]methanediol;ethane?
The InChIKey is XKSWZHXHFLJTEJ-RGMNGODLSA-N. The full InChI is InChI=1S/C7H12O2.C2H6/c8-7(9)6-4-2-1-3-5-6;1-2/h2,4,6-9H,1,3,5H2;1-2H3/t6-;/m0./s1.
What are the key properties of [(1R)-cyclohex-2-en-1-yl]methanediol;ethane?
[(1R)-cyclohex-2-en-1-yl]methanediol;ethane has a molecular weight of 158.24 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-cyclohex-2-en-1-yl]methanediol;ethane is sourced from PubChem (CID 143031665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).