[(1R,3S)-3,4-dimethylcyclohexyl]methanol

C9H18O — CID 118389064

IUPAC[(1R,3S)-3,4-dimethylcyclohexyl]methanol
SMILESCC1CC[C@@H](CO)C[C@@H]1C
InChIInChI=1S/C9H18O/c1-7-3-4-9(6-10)5-8(7)2/h7-10H,3-6H2,1-2H3/t7?,8-,9+/m0/s1
InChIKeyJBEUJBUQQDEQNV-SXNZSPLWSA-N
MW142.24 g/mol
LogP2.05
Rot. Bonds1

About [(1R,3S)-3,4-dimethylcyclohexyl]methanol

[(1R,3S)-3,4-dimethylcyclohexyl]methanol (PubChem CID 118389064) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is [(1R,3S)-3,4-dimethylcyclohexyl]methanol.

Molecular Properties

Compound Name[(1R,3S)-3,4-dimethylcyclohexyl]methanol
PubChem CID118389064
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name[(1R,3S)-3,4-dimethylcyclohexyl]methanol
SMILESCC1CC[C@@H](CO)C[C@@H]1C
InChIInChI=1S/C9H18O/c1-7-3-4-9(6-10)5-8(7)2/h7-10H,3-6H2,1-2H3/t7?,8-,9+/m0/s1
InChIKeyJBEUJBUQQDEQNV-SXNZSPLWSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3,4-dimethylcyclohexyl]methanol?
The IUPAC name of [(1R,3S)-3,4-dimethylcyclohexyl]methanol (CID 118389064) is [(1R,3S)-3,4-dimethylcyclohexyl]methanol.
What is the SMILES notation for [(1R,3S)-3,4-dimethylcyclohexyl]methanol?
The canonical SMILES for [(1R,3S)-3,4-dimethylcyclohexyl]methanol is CC1CC[C@@H](CO)C[C@@H]1C.
What is the InChIKey of [(1R,3S)-3,4-dimethylcyclohexyl]methanol?
The InChIKey is JBEUJBUQQDEQNV-SXNZSPLWSA-N. The full InChI is InChI=1S/C9H18O/c1-7-3-4-9(6-10)5-8(7)2/h7-10H,3-6H2,1-2H3/t7?,8-,9+/m0/s1.
What are the key properties of [(1R,3S)-3,4-dimethylcyclohexyl]methanol?
[(1R,3S)-3,4-dimethylcyclohexyl]methanol has a molecular weight of 142.24 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3,4-dimethylcyclohexyl]methanol is sourced from PubChem (CID 118389064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).