1-(2-methylbuta-2,3-dienyl)cyclohexene

C11H16 — CID 142934932

IUPAC1-(2-methylbuta-2,3-dienyl)cyclohexene
SMILESC=C=C(C)CC1=CCCCC1
InChIInChI=1S/C11H16/c1-3-10(2)9-11-7-5-4-6-8-11/h7H,1,4-6,8-9H2,2H3
InChIKeyVGVLKSFIEWZFCK-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.61
Rot. Bonds2

About 1-(2-methylbuta-2,3-dienyl)cyclohexene

1-(2-methylbuta-2,3-dienyl)cyclohexene (PubChem CID 142934932) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 1-(2-methylbuta-2,3-dienyl)cyclohexene.

Molecular Properties

Compound Name1-(2-methylbuta-2,3-dienyl)cyclohexene
PubChem CID142934932
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name1-(2-methylbuta-2,3-dienyl)cyclohexene
SMILESC=C=C(C)CC1=CCCCC1
InChIInChI=1S/C11H16/c1-3-10(2)9-11-7-5-4-6-8-11/h7H,1,4-6,8-9H2,2H3
InChIKeyVGVLKSFIEWZFCK-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexen-1-yl)ethanethioamide
CID 82668044
1-(cycloocten-1-yl)-3-methylbutan-2-one
CID 147027331
methyl 2-(cyclohexen-1-yl)acetate
CID 11051874
2-(Cyclohex-1-en-1-yl)ethyl
CID 57423167
1-(cyclohexen-1-yl)-3-hydroxypropan-2-one
CID 130030095
cyclododecen-1-ylmethanol
CID 70464862
1-penta-1,2-dien-3-ylcyclohexene
CID 11994847
cyclohexen-1-ylmethanol;ethane;prop-1-yne
CID 142193644
1-(3,4-dimethylpent-4-enyl)cyclohexene
CID 143128247
1-(cyclohexen-1-yl)-3-methylpentan-2-one
CID 116659851
ethyl 2-(cycloocten-1-yl)acetate
CID 67663931
2-(cyclohexen-1-yl)-1-(4-methylphenyl)ethanone
CID 116659602

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbuta-2,3-dienyl)cyclohexene?
The IUPAC name of 1-(2-methylbuta-2,3-dienyl)cyclohexene (CID 142934932) is 1-(2-methylbuta-2,3-dienyl)cyclohexene.
What is the SMILES notation for 1-(2-methylbuta-2,3-dienyl)cyclohexene?
The canonical SMILES for 1-(2-methylbuta-2,3-dienyl)cyclohexene is C=C=C(C)CC1=CCCCC1.
What is the InChIKey of 1-(2-methylbuta-2,3-dienyl)cyclohexene?
The InChIKey is VGVLKSFIEWZFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-3-10(2)9-11-7-5-4-6-8-11/h7H,1,4-6,8-9H2,2H3.
What are the key properties of 1-(2-methylbuta-2,3-dienyl)cyclohexene?
1-(2-methylbuta-2,3-dienyl)cyclohexene has a molecular weight of 148.25 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbuta-2,3-dienyl)cyclohexene is sourced from PubChem (CID 142934932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).