1-[(4R)-4-methylcyclohexen-1-yl]ethanol

C9H16O — CID 139467915

IUPAC1-[(4R)-4-methylcyclohexen-1-yl]ethanol
SMILESCC(O)C1=CC[C@H](C)CC1
InChIInChI=1S/C9H16O/c1-7-3-5-9(6-4-7)8(2)10/h5,7-8,10H,3-4,6H2,1-2H3/t7-,8?/m0/s1
InChIKeyQYOOXKWLLOAUFK-JAMMHHFISA-N
MW140.23 g/mol
LogP2.11
Rot. Bonds1

About 1-[(4R)-4-methylcyclohexen-1-yl]ethanol

1-[(4R)-4-methylcyclohexen-1-yl]ethanol (PubChem CID 139467915) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-[(4R)-4-methylcyclohexen-1-yl]ethanol.

Molecular Properties

Compound Name1-[(4R)-4-methylcyclohexen-1-yl]ethanol
PubChem CID139467915
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1-[(4R)-4-methylcyclohexen-1-yl]ethanol
SMILESCC(O)C1=CC[C@H](C)CC1
InChIInChI=1S/C9H16O/c1-7-3-5-9(6-4-7)8(2)10/h5,7-8,10H,3-4,6H2,1-2H3/t7-,8?/m0/s1
InChIKeyQYOOXKWLLOAUFK-JAMMHHFISA-N
XLogP2.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1-[(4R)-4-methylcyclohexen-1-yl]ethanol?
The IUPAC name of 1-[(4R)-4-methylcyclohexen-1-yl]ethanol (CID 139467915) is 1-[(4R)-4-methylcyclohexen-1-yl]ethanol.
What is the SMILES notation for 1-[(4R)-4-methylcyclohexen-1-yl]ethanol?
The canonical SMILES for 1-[(4R)-4-methylcyclohexen-1-yl]ethanol is CC(O)C1=CC[C@H](C)CC1.
What is the InChIKey of 1-[(4R)-4-methylcyclohexen-1-yl]ethanol?
The InChIKey is QYOOXKWLLOAUFK-JAMMHHFISA-N. The full InChI is InChI=1S/C9H16O/c1-7-3-5-9(6-4-7)8(2)10/h5,7-8,10H,3-4,6H2,1-2H3/t7-,8?/m0/s1.
What are the key properties of 1-[(4R)-4-methylcyclohexen-1-yl]ethanol?
1-[(4R)-4-methylcyclohexen-1-yl]ethanol has a molecular weight of 140.23 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-methylcyclohexen-1-yl]ethanol is sourced from PubChem (CID 139467915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).