1-(3,3-dimethylbut-1-en-2-yl)cyclohexene

C12H20 — CID 91451932

IUPAC1-(3,3-dimethylbut-1-en-2-yl)cyclohexene
SMILESC=C(C1=CCCCC1)C(C)(C)C
InChIInChI=1S/C12H20/c1-10(12(2,3)4)11-8-6-5-7-9-11/h8H,1,5-7,9H2,2-4H3
InChIKeyXAODEIDLFOIXIC-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.09
Rot. Bonds1

About 1-(3,3-dimethylbut-1-en-2-yl)cyclohexene

1-(3,3-dimethylbut-1-en-2-yl)cyclohexene (PubChem CID 91451932) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 1-(3,3-dimethylbut-1-en-2-yl)cyclohexene.

Molecular Properties

Compound Name1-(3,3-dimethylbut-1-en-2-yl)cyclohexene
PubChem CID91451932
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name1-(3,3-dimethylbut-1-en-2-yl)cyclohexene
SMILESC=C(C1=CCCCC1)C(C)(C)C
InChIInChI=1S/C12H20/c1-10(12(2,3)4)11-8-6-5-7-9-11/h8H,1,5-7,9H2,2-4H3
InChIKeyXAODEIDLFOIXIC-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(cyclohexen-1-yl)-2,3,3-trimethylbut-1-en-1-ol
CID 161095188
tert-butyl-[1-(cyclohexen-1-yl)ethenoxy]-dimethylsilane
CID 10955633
2,2-dimethylpropanoyl cyclohexene-1-carboxylate
CID 101420959
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
2-(cyclohexen-1-yl)-3,4,4-trimethylpent-2-enal
CID 140525623
[(1E)-3-(cyclohexen-1-yl)-1-iodobuta-1,3-dien-2-yl]-trimethylsilane
CID 135038847
2-(cyclohexen-1-yl)pent-1-en-3-ol
CID 101439929
1-(3-methylbut-2-en-2-yl)cycloheptene
CID 101022313
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
1-penta-1,2-dien-3-ylcyclohexene
CID 11994847

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbut-1-en-2-yl)cyclohexene?
The IUPAC name of 1-(3,3-dimethylbut-1-en-2-yl)cyclohexene (CID 91451932) is 1-(3,3-dimethylbut-1-en-2-yl)cyclohexene.
What is the SMILES notation for 1-(3,3-dimethylbut-1-en-2-yl)cyclohexene?
The canonical SMILES for 1-(3,3-dimethylbut-1-en-2-yl)cyclohexene is C=C(C1=CCCCC1)C(C)(C)C.
What is the InChIKey of 1-(3,3-dimethylbut-1-en-2-yl)cyclohexene?
The InChIKey is XAODEIDLFOIXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-10(12(2,3)4)11-8-6-5-7-9-11/h8H,1,5-7,9H2,2-4H3.
What are the key properties of 1-(3,3-dimethylbut-1-en-2-yl)cyclohexene?
1-(3,3-dimethylbut-1-en-2-yl)cyclohexene has a molecular weight of 164.29 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbut-1-en-2-yl)cyclohexene is sourced from PubChem (CID 91451932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).