(1R)-1-(hydroxymethyl)cyclohex-2-en-1-ol

C7H12O2 — CID 134862532

IUPAC(1R)-1-(hydroxymethyl)cyclohex-2-en-1-ol
SMILESOC[C@]1(O)C=CCCC1
InChIInChI=1S/C7H12O2/c8-6-7(9)4-2-1-3-5-7/h2,4,8-9H,1,3,5-6H2/t7-/m0/s1
InChIKeyKPCVWHNHKKSQHZ-ZETCQYMHSA-N
MW128.17 g/mol
LogP0.45
Rot. Bonds1

About (1R)-1-(hydroxymethyl)cyclohex-2-en-1-ol

(1R)-1-(hydroxymethyl)cyclohex-2-en-1-ol (PubChem CID 134862532) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (1R)-1-(hydroxymethyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R)-1-(hydroxymethyl)cyclohex-2-en-1-ol
PubChem CID134862532
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(1R)-1-(hydroxymethyl)cyclohex-2-en-1-ol
SMILESOC[C@]1(O)C=CCCC1
InChIInChI=1S/C7H12O2/c8-6-7(9)4-2-1-3-5-7/h2,4,8-9H,1,3,5-6H2/t7-/m0/s1
InChIKeyKPCVWHNHKKSQHZ-ZETCQYMHSA-N
XLogP0.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Cyclohexene-1,2-diol
CID 12407016
(1S,2S)-Cyclohex-3-ene-1,2-diol
CID 10855422
(1~{r},2~{r},6~{r})-6-(Hydroxymethyl)cyclohex-3-Ene-1,2-Diol
CID 123132906
(1R,2R)-cyclohex-3-ene-1,2-diol
CID 9812769
1-(Ethoxymethyl)cyclohex-2-en-1-ol
CID 10920758
2-Propyl-catechol
CID 68475566
1,3-Dimethylpyrogallol
CID 70116141
1-(Fluoromethyl)cyclohex-4-ene-1,2,3-triol
CID 142463393
1-(Difluoromethyl)cyclohex-4-ene-1,2,3-triol
CID 142463394
3-Cyclohexene-1,2-diol, cis-
CID 10855421
2,6-Dimethylcyclohex-3-ene-1,2-diol
CID 11579145
1-(1-Hydroxybut-3-enyl)cyclohex-2-en-1-ol
CID 69042437

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(hydroxymethyl)cyclohex-2-en-1-ol?
The IUPAC name of (1R)-1-(hydroxymethyl)cyclohex-2-en-1-ol (CID 134862532) is (1R)-1-(hydroxymethyl)cyclohex-2-en-1-ol.
What is the SMILES notation for (1R)-1-(hydroxymethyl)cyclohex-2-en-1-ol?
The canonical SMILES for (1R)-1-(hydroxymethyl)cyclohex-2-en-1-ol is OC[C@]1(O)C=CCCC1.
What is the InChIKey of (1R)-1-(hydroxymethyl)cyclohex-2-en-1-ol?
The InChIKey is KPCVWHNHKKSQHZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H12O2/c8-6-7(9)4-2-1-3-5-7/h2,4,8-9H,1,3,5-6H2/t7-/m0/s1.
What are the key properties of (1R)-1-(hydroxymethyl)cyclohex-2-en-1-ol?
(1R)-1-(hydroxymethyl)cyclohex-2-en-1-ol has a molecular weight of 128.17 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(hydroxymethyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 134862532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).