[(1S,4S)-4-methylcyclohex-2-en-1-yl]methanol

C8H14O — CID 97050185

IUPAC[(1S,4S)-4-methylcyclohex-2-en-1-yl]methanol
SMILESC[C@@H]1C=C[C@@H](CO)CC1
InChIInChI=1S/C8H14O/c1-7-2-4-8(6-9)5-3-7/h2,4,7-9H,3,5-6H2,1H3/t7-,8-/m1/s1
InChIKeyBZJJMQUSCWMTBN-HTQZYQBOSA-N
MW126.20 g/mol
LogP1.58
Rot. Bonds1

About [(1S,4S)-4-methylcyclohex-2-en-1-yl]methanol

[(1S,4S)-4-methylcyclohex-2-en-1-yl]methanol (PubChem CID 97050185) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is [(1S,4S)-4-methylcyclohex-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1S,4S)-4-methylcyclohex-2-en-1-yl]methanol
PubChem CID97050185
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name[(1S,4S)-4-methylcyclohex-2-en-1-yl]methanol
SMILESC[C@@H]1C=C[C@@H](CO)CC1
InChIInChI=1S/C8H14O/c1-7-2-4-8(6-9)5-3-7/h2,4,7-9H,3,5-6H2,1H3/t7-,8-/m1/s1
InChIKeyBZJJMQUSCWMTBN-HTQZYQBOSA-N
XLogP1.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.58
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 [(1S,4S)-4-methylcyclohex-2-en-1-yl]methanol?
The IUPAC name of [(1S,4S)-4-methylcyclohex-2-en-1-yl]methanol (CID 97050185) is [(1S,4S)-4-methylcyclohex-2-en-1-yl]methanol.
What is the SMILES notation for [(1S,4S)-4-methylcyclohex-2-en-1-yl]methanol?
The canonical SMILES for [(1S,4S)-4-methylcyclohex-2-en-1-yl]methanol is C[C@@H]1C=C[C@@H](CO)CC1.
What is the InChIKey of [(1S,4S)-4-methylcyclohex-2-en-1-yl]methanol?
The InChIKey is BZJJMQUSCWMTBN-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H14O/c1-7-2-4-8(6-9)5-3-7/h2,4,7-9H,3,5-6H2,1H3/t7-,8-/m1/s1.
What are the key properties of [(1S,4S)-4-methylcyclohex-2-en-1-yl]methanol?
[(1S,4S)-4-methylcyclohex-2-en-1-yl]methanol has a molecular weight of 126.20 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4S)-4-methylcyclohex-2-en-1-yl]methanol is sourced from PubChem (CID 97050185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).