[2-[(2E)-penta-2,4-dienyl]cyclohexyl]methanol

C12H20O — CID 5368931

IUPAC[2-[(2E)-penta-2,4-dienyl]cyclohexyl]methanol
SMILESC=C/C=C/CC1CCCCC1CO
InChIInChI=1S/C12H20O/c1-2-3-4-7-11-8-5-6-9-12(11)10-13/h2-4,11-13H,1,5-10H2/b4-3+
InChIKeyDBNPIFQVSPHFPM-ONEGZZNKSA-N
MW180.29 g/mol
LogP2.92
Rot. Bonds4

About [2-[(2E)-penta-2,4-dienyl]cyclohexyl]methanol

[2-[(2E)-penta-2,4-dienyl]cyclohexyl]methanol (PubChem CID 5368931) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is [2-[(2E)-penta-2,4-dienyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(2E)-penta-2,4-dienyl]cyclohexyl]methanol
PubChem CID5368931
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name[2-[(2E)-penta-2,4-dienyl]cyclohexyl]methanol
SMILESC=C/C=C/CC1CCCCC1CO
InChIInChI=1S/C12H20O/c1-2-3-4-7-11-8-5-6-9-12(11)10-13/h2-4,11-13H,1,5-10H2/b4-3+
InChIKeyDBNPIFQVSPHFPM-ONEGZZNKSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1S,2S)-2-prop-2-enylcyclohexyl]methanol
CID 134992841
1-methyl-2-penta-2,4-dienylcyclopentane
CID 162303686
[(1S,2S)-2-ethenylcyclohexyl]methanol
CID 22854364
acetic acid;[(1R,2R)-2-(hydroxymethyl)cycloheptyl]methanol
CID 71398880
[(1R,2R)-2-ethylcyclohexyl]methanol
CID 58154483
(2R)-2-[(2E)-penta-2,4-dienyl]cyclohexan-1-one
CID 129321670
2-(hydroxymethyl)cyclododecane-1-carbaldehyde
CID 54076682
(5S)-4-methyl-5-[(2Z)-penta-2,4-dienyl]cyclohexene
CID 163486366
[2-(2-fluoroethyl)cyclohexyl]methanol
CID 84716751
[2-(2,5-dihydropyrrol-1-ylmethyl)cyclopentyl]methanol
CID 104550180
2-(hydroxymethyl)cyclohexane-1-carbaldehyde
CID 13194685
[(3Z)-2-methylidenehexa-3,5-dienoxy]cyclohexane
CID 89174418

Frequently Asked Questions

What is the IUPAC name of [2-[(2E)-penta-2,4-dienyl]cyclohexyl]methanol?
The IUPAC name of [2-[(2E)-penta-2,4-dienyl]cyclohexyl]methanol (CID 5368931) is [2-[(2E)-penta-2,4-dienyl]cyclohexyl]methanol.
What is the SMILES notation for [2-[(2E)-penta-2,4-dienyl]cyclohexyl]methanol?
The canonical SMILES for [2-[(2E)-penta-2,4-dienyl]cyclohexyl]methanol is C=C/C=C/CC1CCCCC1CO.
What is the InChIKey of [2-[(2E)-penta-2,4-dienyl]cyclohexyl]methanol?
The InChIKey is DBNPIFQVSPHFPM-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H20O/c1-2-3-4-7-11-8-5-6-9-12(11)10-13/h2-4,11-13H,1,5-10H2/b4-3+.
What are the key properties of [2-[(2E)-penta-2,4-dienyl]cyclohexyl]methanol?
[2-[(2E)-penta-2,4-dienyl]cyclohexyl]methanol has a molecular weight of 180.29 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2E)-penta-2,4-dienyl]cyclohexyl]methanol is sourced from PubChem (CID 5368931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).