[(1R,6S)-6-(hydroxymethyl)cyclohex-3-en-1-yl]methanol

C8H14O2 — CID 11275057

IUPAC[(1R,6S)-6-(hydroxymethyl)cyclohex-3-en-1-yl]methanol
SMILESOC[C@@H]1CC=CC[C@@H]1CO
InChIInChI=1S/C8H14O2/c9-5-7-3-1-2-4-8(7)6-10/h1-2,7-10H,3-6H2/t7-,8+
InChIKeyFQCJBRVTYJVAEF-OCAPTIKFSA-N
MW142.20 g/mol
LogP0.55
Rot. Bonds2

About [(1R,6S)-6-(hydroxymethyl)cyclohex-3-en-1-yl]methanol

[(1R,6S)-6-(hydroxymethyl)cyclohex-3-en-1-yl]methanol (PubChem CID 11275057) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is [(1R,6S)-6-(hydroxymethyl)cyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,6S)-6-(hydroxymethyl)cyclohex-3-en-1-yl]methanol
PubChem CID11275057
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name[(1R,6S)-6-(hydroxymethyl)cyclohex-3-en-1-yl]methanol
SMILESOC[C@@H]1CC=CC[C@@H]1CO
InChIInChI=1S/C8H14O2/c9-5-7-3-1-2-4-8(7)6-10/h1-2,7-10H,3-6H2/t7-,8+
InChIKeyFQCJBRVTYJVAEF-OCAPTIKFSA-N
XLogP0.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,6S)-6-(hydroxymethyl)cyclohex-3-en-1-yl]methanol?
The IUPAC name of [(1R,6S)-6-(hydroxymethyl)cyclohex-3-en-1-yl]methanol (CID 11275057) is [(1R,6S)-6-(hydroxymethyl)cyclohex-3-en-1-yl]methanol.
What is the SMILES notation for [(1R,6S)-6-(hydroxymethyl)cyclohex-3-en-1-yl]methanol?
The canonical SMILES for [(1R,6S)-6-(hydroxymethyl)cyclohex-3-en-1-yl]methanol is OC[C@@H]1CC=CC[C@@H]1CO.
What is the InChIKey of [(1R,6S)-6-(hydroxymethyl)cyclohex-3-en-1-yl]methanol?
The InChIKey is FQCJBRVTYJVAEF-OCAPTIKFSA-N. The full InChI is InChI=1S/C8H14O2/c9-5-7-3-1-2-4-8(7)6-10/h1-2,7-10H,3-6H2/t7-,8+.
What are the key properties of [(1R,6S)-6-(hydroxymethyl)cyclohex-3-en-1-yl]methanol?
[(1R,6S)-6-(hydroxymethyl)cyclohex-3-en-1-yl]methanol has a molecular weight of 142.20 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6S)-6-(hydroxymethyl)cyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 11275057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).