(1S)-1-(2-methylcyclohexen-1-yl)ethanol

C9H16O — CID 130629638

IUPAC(1S)-1-(2-methylcyclohexen-1-yl)ethanol
SMILESCC1=C([C@H](C)O)CCCC1
InChIInChI=1S/C9H16O/c1-7-5-3-4-6-9(7)8(2)10/h8,10H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyRGZLLBGKLJMQJG-QMMMGPOBSA-N
MW140.23 g/mol
LogP2.26
Rot. Bonds1

About (1S)-1-(2-methylcyclohexen-1-yl)ethanol

(1S)-1-(2-methylcyclohexen-1-yl)ethanol (PubChem CID 130629638) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (1S)-1-(2-methylcyclohexen-1-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(2-methylcyclohexen-1-yl)ethanol
PubChem CID130629638
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(1S)-1-(2-methylcyclohexen-1-yl)ethanol
SMILESCC1=C([C@H](C)O)CCCC1
InChIInChI=1S/C9H16O/c1-7-5-3-4-6-9(7)8(2)10/h8,10H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyRGZLLBGKLJMQJG-QMMMGPOBSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Methyldec-3-en-5-ol
CID 6441135
2-Cyclohexen-1-ol, 3-methyl-
CID 89487
4-Methyl-3-decen-5-ol
CID 163336
cis-Piperitenol
CID 6429050
(2-Methyl-4,5-ditridecyl-1,4-cyclohexadienyl)methanol
CID 15381134
(2-Methylcyclohex-1-en-1-yl)methanol
CID 565411
1-(2,6,6-Trimethylcyclohex-1-enyl)ethanol
CID 539545
2-Undecen-4-ol
CID 5366258
Decene-2-ol-4
CID 6429384
6-Methyl-2-methylene-6-octene-1,3,8-triol
CID 131752432
(1S)-3-methyl-6-propan-2-ylidenecyclohex-2-en-1-ol
CID 101600669
(E,7S)-3-methyltetradec-2-en-7-ol
CID 163046073

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-methylcyclohexen-1-yl)ethanol?
The IUPAC name of (1S)-1-(2-methylcyclohexen-1-yl)ethanol (CID 130629638) is (1S)-1-(2-methylcyclohexen-1-yl)ethanol.
What is the SMILES notation for (1S)-1-(2-methylcyclohexen-1-yl)ethanol?
The canonical SMILES for (1S)-1-(2-methylcyclohexen-1-yl)ethanol is CC1=C([C@H](C)O)CCCC1.
What is the InChIKey of (1S)-1-(2-methylcyclohexen-1-yl)ethanol?
The InChIKey is RGZLLBGKLJMQJG-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16O/c1-7-5-3-4-6-9(7)8(2)10/h8,10H,3-6H2,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-1-(2-methylcyclohexen-1-yl)ethanol?
(1S)-1-(2-methylcyclohexen-1-yl)ethanol has a molecular weight of 140.23 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methylcyclohexen-1-yl)ethanol is sourced from PubChem (CID 130629638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).