[(1S,6R)-6-(hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol

C9H16O2 — CID 67908983

IUPAC[(1S,6R)-6-(hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol
SMILESCC1=CC[C@H](CO)[C@H](CO)C1
InChIInChI=1S/C9H16O2/c1-7-2-3-8(5-10)9(4-7)6-11/h2,8-11H,3-6H2,1H3/t8-,9+/m1/s1
InChIKeyQKZNNPXTMNJEJA-BDAKNGLRSA-N
MW156.23 g/mol
LogP0.94
Rot. Bonds2

About [(1S,6R)-6-(hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol

[(1S,6R)-6-(hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol (PubChem CID 67908983) has the molecular formula C9H16O2 and a molecular weight of 156.23 g/mol. Its IUPAC name is [(1S,6R)-6-(hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name[(1S,6R)-6-(hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol
PubChem CID67908983
Molecular FormulaC9H16O2
Molecular Weight156.23 g/mol
Exact Mass156.12
IUPAC Name[(1S,6R)-6-(hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol
SMILESCC1=CC[C@H](CO)[C@H](CO)C1
InChIInChI=1S/C9H16O2/c1-7-2-3-8(5-10)9(4-7)6-11/h2,8-11H,3-6H2,1H3/t8-,9+/m1/s1
InChIKeyQKZNNPXTMNJEJA-BDAKNGLRSA-N
XLogP0.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.94
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 [(1S,6R)-6-(hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol?
The IUPAC name of [(1S,6R)-6-(hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol (CID 67908983) is [(1S,6R)-6-(hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol.
What is the SMILES notation for [(1S,6R)-6-(hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol?
The canonical SMILES for [(1S,6R)-6-(hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol is CC1=CC[C@H](CO)[C@H](CO)C1.
What is the InChIKey of [(1S,6R)-6-(hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol?
The InChIKey is QKZNNPXTMNJEJA-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H16O2/c1-7-2-3-8(5-10)9(4-7)6-11/h2,8-11H,3-6H2,1H3/t8-,9+/m1/s1.
What are the key properties of [(1S,6R)-6-(hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol?
[(1S,6R)-6-(hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol has a molecular weight of 156.23 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,6R)-6-(hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 67908983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).