(2E)-2-[(2S)-2-methylcyclohexylidene]ethanol

C9H16O — CID 12956894

IUPAC(2E)-2-[(2S)-2-methylcyclohexylidene]ethanol
SMILESC[C@H]1CCCC/C1=C\CO
InChIInChI=1S/C9H16O/c1-8-4-2-3-5-9(8)6-7-10/h6,8,10H,2-5,7H2,1H3/b9-6+/t8-/m0/s1
InChIKeyAGADWCJWTVFBBB-CYXIBPNKSA-N
MW140.23 g/mol
LogP2.12
Rot. Bonds1

About (2E)-2-[(2S)-2-methylcyclohexylidene]ethanol

(2E)-2-[(2S)-2-methylcyclohexylidene]ethanol (PubChem CID 12956894) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (2E)-2-[(2S)-2-methylcyclohexylidene]ethanol.

Molecular Properties

Compound Name(2E)-2-[(2S)-2-methylcyclohexylidene]ethanol
PubChem CID12956894
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(2E)-2-[(2S)-2-methylcyclohexylidene]ethanol
SMILESC[C@H]1CCCC/C1=C\CO
InChIInChI=1S/C9H16O/c1-8-4-2-3-5-9(8)6-7-10/h6,8,10H,2-5,7H2,1H3/b9-6+/t8-/m0/s1
InChIKeyAGADWCJWTVFBBB-CYXIBPNKSA-N
XLogP2.12
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 ≤ 52.12
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

Perillyl Alcohol
CID 10819
Phytol
CID 5280435
Carveol
CID 7438
alpha-IONOL
CID 5363817
Carveol, trans-(-)-
CID 94221
Carveol, cis-(-)-
CID 330573
Perilla alcohol
CID 369312
Menthadienol
CID 527143
(+)-Perillyl alcohol
CID 11788398
3,7,11,15-Tetramethyl-2-hexadecen-1-OL
CID 5366244
(+)-cis-Carveol
CID 443177
(+)-trans-Carveol
CID 443178

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2S)-2-methylcyclohexylidene]ethanol?
The IUPAC name of (2E)-2-[(2S)-2-methylcyclohexylidene]ethanol (CID 12956894) is (2E)-2-[(2S)-2-methylcyclohexylidene]ethanol.
What is the SMILES notation for (2E)-2-[(2S)-2-methylcyclohexylidene]ethanol?
The canonical SMILES for (2E)-2-[(2S)-2-methylcyclohexylidene]ethanol is C[C@H]1CCCC/C1=C\CO.
What is the InChIKey of (2E)-2-[(2S)-2-methylcyclohexylidene]ethanol?
The InChIKey is AGADWCJWTVFBBB-CYXIBPNKSA-N. The full InChI is InChI=1S/C9H16O/c1-8-4-2-3-5-9(8)6-7-10/h6,8,10H,2-5,7H2,1H3/b9-6+/t8-/m0/s1.
What are the key properties of (2E)-2-[(2S)-2-methylcyclohexylidene]ethanol?
(2E)-2-[(2S)-2-methylcyclohexylidene]ethanol has a molecular weight of 140.23 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2S)-2-methylcyclohexylidene]ethanol is sourced from PubChem (CID 12956894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).