1-(cyclohexen-1-yl)-2,3,3-trimethylbut-1-en-1-ol

C13H22O — CID 161095188

IUPAC1-(cyclohexen-1-yl)-2,3,3-trimethylbut-1-en-1-ol
SMILESCC(=C(O)C1=CCCCC1)C(C)(C)C
InChIInChI=1S/C13H22O/c1-10(13(2,3)4)12(14)11-8-6-5-7-9-11/h8,14H,5-7,9H2,1-4H3
InChIKeyUHRWRCUXKYJWMY-UHFFFAOYSA-N
MW194.32 g/mol
LogP4.36
Rot. Bonds1

About 1-(cyclohexen-1-yl)-2,3,3-trimethylbut-1-en-1-ol

1-(cyclohexen-1-yl)-2,3,3-trimethylbut-1-en-1-ol (PubChem CID 161095188) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2,3,3-trimethylbut-1-en-1-ol.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2,3,3-trimethylbut-1-en-1-ol
PubChem CID161095188
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name1-(cyclohexen-1-yl)-2,3,3-trimethylbut-1-en-1-ol
SMILESCC(=C(O)C1=CCCCC1)C(C)(C)C
InChIInChI=1S/C13H22O/c1-10(13(2,3)4)12(14)11-8-6-5-7-9-11/h8,14H,5-7,9H2,1-4H3
InChIKeyUHRWRCUXKYJWMY-UHFFFAOYSA-N
XLogP4.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-(cyclohexen-1-yl)-3,4,4-trimethylpent-2-enal
CID 140525623
1-(3,3-dimethylbut-1-en-2-yl)cyclohexene
CID 91451932
1-(3-methylbut-2-en-2-yl)cycloheptene
CID 101022313
2,2-dimethylpropanoyl cyclohexene-1-carboxylate
CID 101420959
1-(cyclohexen-1-yl)propane-1,2-dione
CID 68719323
1-[(Z)-1-chloro-3,3-dimethylbut-1-enyl]cyclohexene
CID 10997998
1-(cyclohexen-1-yl)-2,2,3,3-tetramethylbutan-1-one
CID 130677283
1-(cyclohexen-1-yl)ethanone;propane
CID 142317492
tert-butyl-[1-(cyclohexen-1-yl)ethenoxy]-dimethylsilane
CID 10955633
1-[(1E)-cycloocten-1-yl]-2-methyl-2-phenylpropan-1-one
CID 106651815
3-amino-1-(cyclohexen-1-yl)-3-methylbutan-1-one
CID 106655429
2-amino-1-(cyclohexen-1-yl)-3,3-dimethylbutan-1-one
CID 106655718

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2,3,3-trimethylbut-1-en-1-ol?
The IUPAC name of 1-(cyclohexen-1-yl)-2,3,3-trimethylbut-1-en-1-ol (CID 161095188) is 1-(cyclohexen-1-yl)-2,3,3-trimethylbut-1-en-1-ol.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2,3,3-trimethylbut-1-en-1-ol?
The canonical SMILES for 1-(cyclohexen-1-yl)-2,3,3-trimethylbut-1-en-1-ol is CC(=C(O)C1=CCCCC1)C(C)(C)C.
What is the InChIKey of 1-(cyclohexen-1-yl)-2,3,3-trimethylbut-1-en-1-ol?
The InChIKey is UHRWRCUXKYJWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-10(13(2,3)4)12(14)11-8-6-5-7-9-11/h8,14H,5-7,9H2,1-4H3.
What are the key properties of 1-(cyclohexen-1-yl)-2,3,3-trimethylbut-1-en-1-ol?
1-(cyclohexen-1-yl)-2,3,3-trimethylbut-1-en-1-ol has a molecular weight of 194.32 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2,3,3-trimethylbut-1-en-1-ol is sourced from PubChem (CID 161095188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).