2,7-dimethylbicyclo[4.1.0]hept-2-ene

C9H14 — CID 13427831

IUPAC2,7-dimethylbicyclo[4.1.0]hept-2-ene
SMILESCC1=CCCC2C(C)C12
InChIInChI=1S/C9H14/c1-6-4-3-5-8-7(2)9(6)8/h4,7-9H,3,5H2,1-2H3
InChIKeySGCFNDMTAZWONW-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.61
Rot. Bonds

About 2,7-dimethylbicyclo[4.1.0]hept-2-ene

2,7-dimethylbicyclo[4.1.0]hept-2-ene (PubChem CID 13427831) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 2,7-dimethylbicyclo[4.1.0]hept-2-ene.

Molecular Properties

Compound Name2,7-dimethylbicyclo[4.1.0]hept-2-ene
PubChem CID13427831
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name2,7-dimethylbicyclo[4.1.0]hept-2-ene
SMILESCC1=CCCC2C(C)C12
InChIInChI=1S/C9H14/c1-6-4-3-5-8-7(2)9(6)8/h4,7-9H,3,5H2,1-2H3
InChIKeySGCFNDMTAZWONW-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.61
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

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2-(2,3-dimethylcyclohex-3-en-1-yl)propan-2-ol
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1,6,7-trimethylcycloheptene
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2,6-dimethylcyclohex-2-ene-1-carboxylic acid
CID 45084784
1-(2,3-dimethylcyclohex-3-en-1-yl)ethanone
CID 130029480
(4S,7R,7aR)-3,7-dimethyl-4-(2-methylprop-1-enyl)-3a,4,5,6,7,7a-hexahydro-1H-indene
CID 58067904
(1S,5R,6S)-6-methylbicyclo[3.1.0]hexan-2-one
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1,5-dimethylcyclohexene
CID 520362
1-[(1R,3S,8R,9S,11R)-4,8,11-trimethyl-3-bicyclo[7.2.0]undec-4-enyl]ethanone
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CID 145373363

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylbicyclo[4.1.0]hept-2-ene?
The IUPAC name of 2,7-dimethylbicyclo[4.1.0]hept-2-ene (CID 13427831) is 2,7-dimethylbicyclo[4.1.0]hept-2-ene.
What is the SMILES notation for 2,7-dimethylbicyclo[4.1.0]hept-2-ene?
The canonical SMILES for 2,7-dimethylbicyclo[4.1.0]hept-2-ene is CC1=CCCC2C(C)C12.
What is the InChIKey of 2,7-dimethylbicyclo[4.1.0]hept-2-ene?
The InChIKey is SGCFNDMTAZWONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-6-4-3-5-8-7(2)9(6)8/h4,7-9H,3,5H2,1-2H3.
What are the key properties of 2,7-dimethylbicyclo[4.1.0]hept-2-ene?
2,7-dimethylbicyclo[4.1.0]hept-2-ene has a molecular weight of 122.21 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylbicyclo[4.1.0]hept-2-ene is sourced from PubChem (CID 13427831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).