1-(3-ethylcyclohexyl)-3-methylbut-3-en-1-ol

C13H24O — CID 79177597

IUPAC1-(3-ethylcyclohexyl)-3-methylbut-3-en-1-ol
SMILESC=C(C)CC(O)C1CCCC(CC)C1
InChIInChI=1S/C13H24O/c1-4-11-6-5-7-12(9-11)13(14)8-10(2)3/h11-14H,2,4-9H2,1,3H3
InChIKeyAVOLOANRHOBIPT-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.53
Rot. Bonds4

About 1-(3-ethylcyclohexyl)-3-methylbut-3-en-1-ol

1-(3-ethylcyclohexyl)-3-methylbut-3-en-1-ol (PubChem CID 79177597) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)-3-methylbut-3-en-1-ol.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)-3-methylbut-3-en-1-ol
PubChem CID79177597
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name1-(3-ethylcyclohexyl)-3-methylbut-3-en-1-ol
SMILESC=C(C)CC(O)C1CCCC(CC)C1
InChIInChI=1S/C13H24O/c1-4-11-6-5-7-12(9-11)13(14)8-10(2)3/h11-14H,2,4-9H2,1,3H3
InChIKeyAVOLOANRHOBIPT-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.53
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

2-cyclobutyl-1-(3-ethylcyclohexyl)ethanol
CID 65457880
1-(3-ethylcyclohexyl)decan-1-ol
CID 65401129
1-cyclopropyl-3-methylbut-3-en-1-ol
CID 79179792
1-(3-ethylcyclohexyl)-2-(thian-4-yl)ethanol
CID 105104403
[1-(3-ethylcyclohexyl)-4-methylpent-4-enyl]hydrazine
CID 105232886
1-(3-ethylcyclohexyl)-2,2-difluoroethanol
CID 112699179
1-(3-bicyclo[3.1.0]hexanyl)-3-methylbut-3-en-1-ol
CID 115816829
1-(3-ethylcyclohexyl)-2-(oxan-2-yl)ethanol
CID 113391339
2-chloro-1-(3-ethylcyclohexyl)-2,2-difluoroethanol
CID 112575163
3-methyl-1-(oxan-3-yl)but-3-en-1-ol
CID 79178468
3-(3-ethylcyclohexyl)-4-methylpentan-2-one
CID 79417882
1-cyclopentyl-3-methylidenepentan-1-ol
CID 66045289

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclohexyl)-3-methylbut-3-en-1-ol?
The IUPAC name of 1-(3-ethylcyclohexyl)-3-methylbut-3-en-1-ol (CID 79177597) is 1-(3-ethylcyclohexyl)-3-methylbut-3-en-1-ol.
What is the SMILES notation for 1-(3-ethylcyclohexyl)-3-methylbut-3-en-1-ol?
The canonical SMILES for 1-(3-ethylcyclohexyl)-3-methylbut-3-en-1-ol is C=C(C)CC(O)C1CCCC(CC)C1.
What is the InChIKey of 1-(3-ethylcyclohexyl)-3-methylbut-3-en-1-ol?
The InChIKey is AVOLOANRHOBIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-4-11-6-5-7-12(9-11)13(14)8-10(2)3/h11-14H,2,4-9H2,1,3H3.
What are the key properties of 1-(3-ethylcyclohexyl)-3-methylbut-3-en-1-ol?
1-(3-ethylcyclohexyl)-3-methylbut-3-en-1-ol has a molecular weight of 196.33 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohexyl)-3-methylbut-3-en-1-ol is sourced from PubChem (CID 79177597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).