1-(cyclohexen-1-yl)-2-methylpent-1-en-4-yn-3-ol

C12H16O — CID 173438719

IUPAC1-(cyclohexen-1-yl)-2-methylpent-1-en-4-yn-3-ol
SMILESC#CC(O)C(C)=CC1=CCCCC1
InChIInChI=1S/C12H16O/c1-3-12(13)10(2)9-11-7-5-4-6-8-11/h1,7,9,12-13H,4-6,8H2,2H3
InChIKeyVOCZDRJKUIMPFO-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.43
Rot. Bonds2

About 1-(cyclohexen-1-yl)-2-methylpent-1-en-4-yn-3-ol

1-(cyclohexen-1-yl)-2-methylpent-1-en-4-yn-3-ol (PubChem CID 173438719) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-methylpent-1-en-4-yn-3-ol.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-methylpent-1-en-4-yn-3-ol
PubChem CID173438719
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name1-(cyclohexen-1-yl)-2-methylpent-1-en-4-yn-3-ol
SMILESC#CC(O)C(C)=CC1=CCCCC1
InChIInChI=1S/C12H16O/c1-3-12(13)10(2)9-11-7-5-4-6-8-11/h1,7,9,12-13H,4-6,8H2,2H3
InChIKeyVOCZDRJKUIMPFO-UHFFFAOYSA-N
XLogP2.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1Z,4Z)-1,5-di(cyclohexen-1-yl)-2,4-dimethylpenta-1,4-dien-3-one
CID 70617483
methyl 3-(cyclohexen-1-yl)-2-methylprop-2-enoate
CID 57076411
acetic acid;cyclohexene-1-carbaldehyde
CID 175385909
1-ethenylcyclooctene
CID 54012738
1-[(Z)-prop-1-enyl]cycloheptene
CID 135080303
1-ethenylcyclohexene;methylidenecyclopropane
CID 159160472
[(E)-2-(cyclohexen-1-yl)ethenyl]-methyl-propan-2-ylphosphane
CID 134985320
(1E)-cyclononene-1-carbaldehyde
CID 22647283
1-propa-1,2-dienylcyclooctene
CID 174562803
(Z)-1-cyclopent-2-en-1-yl-2-methylpent-1-en-4-yn-3-ol
CID 131401182
1-[(Z)-2-butyltellanyl-2-iodoethenyl]cyclohexene
CID 101009805
2-(cyclohexen-1-yl)-N,N-dimethylethenamine
CID 71333973

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-methylpent-1-en-4-yn-3-ol?
The IUPAC name of 1-(cyclohexen-1-yl)-2-methylpent-1-en-4-yn-3-ol (CID 173438719) is 1-(cyclohexen-1-yl)-2-methylpent-1-en-4-yn-3-ol.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-methylpent-1-en-4-yn-3-ol?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-methylpent-1-en-4-yn-3-ol is C#CC(O)C(C)=CC1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-methylpent-1-en-4-yn-3-ol?
The InChIKey is VOCZDRJKUIMPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-3-12(13)10(2)9-11-7-5-4-6-8-11/h1,7,9,12-13H,4-6,8H2,2H3.
What are the key properties of 1-(cyclohexen-1-yl)-2-methylpent-1-en-4-yn-3-ol?
1-(cyclohexen-1-yl)-2-methylpent-1-en-4-yn-3-ol has a molecular weight of 176.26 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2-methylpent-1-en-4-yn-3-ol is sourced from PubChem (CID 173438719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).