6,7-dimethylbicyclo[3.2.0]hept-1(5)-ene

C9H14 — CID 13182432

IUPAC6,7-dimethylbicyclo[3.2.0]hept-1(5)-ene
SMILESCC1C2=C(CCC2)C1C
InChIInChI=1S/C9H14/c1-6-7(2)9-5-3-4-8(6)9/h6-7H,3-5H2,1-2H3
InChIKeyPEVJKSXXDGFJKM-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.75
Rot. Bonds

About 6,7-dimethylbicyclo[3.2.0]hept-1(5)-ene

6,7-dimethylbicyclo[3.2.0]hept-1(5)-ene (PubChem CID 13182432) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 6,7-dimethylbicyclo[3.2.0]hept-1(5)-ene.

Molecular Properties

Compound Name6,7-dimethylbicyclo[3.2.0]hept-1(5)-ene
PubChem CID13182432
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name6,7-dimethylbicyclo[3.2.0]hept-1(5)-ene
SMILESCC1C2=C(CCC2)C1C
InChIInChI=1S/C9H14/c1-6-7(2)9-5-3-4-8(6)9/h6-7H,3-5H2,1-2H3
InChIKeyPEVJKSXXDGFJKM-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
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

Aciphyllene
CID 565709
Azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethyl)-, didehydro deriv.
CID 163278
(5S,8S,8aS)-3,8-dimethyl-5-prop-1-en-2-yl-1,2,4,5,6,7,8,8a-octahydroazulene
CID 15834756
(5R,8S,8aS)-3,8-dimethyl-5-prop-1-en-2-yl-1,2,4,5,6,7,8,8a-octahydroazulene
CID 24766093
1alpha,4alpha,7alpha-Azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethyl)
CID 15558957
Cyclopentene, 1,3-dimethyl-2-(1-methylethyl)-
CID 579282
Trimethylcycloheptene
CID 59796493
Cyclopentene, 1-isopropyl-2,3-dimethyl-
CID 565638
3,4-Dimethyl-bicyclohept-3-ene
CID 129809953
1,8,9-Trimethylbicyclo[5.2.0]non-8-ene
CID 134979742
8,9-Dimethylbicyclo[5.2.0]non-8-ene
CID 134992427
2,3-Dimethyl bicyclo hept-2-ene
CID 177746780

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethylbicyclo[3.2.0]hept-1(5)-ene?
The IUPAC name of 6,7-dimethylbicyclo[3.2.0]hept-1(5)-ene (CID 13182432) is 6,7-dimethylbicyclo[3.2.0]hept-1(5)-ene.
What is the SMILES notation for 6,7-dimethylbicyclo[3.2.0]hept-1(5)-ene?
The canonical SMILES for 6,7-dimethylbicyclo[3.2.0]hept-1(5)-ene is CC1C2=C(CCC2)C1C.
What is the InChIKey of 6,7-dimethylbicyclo[3.2.0]hept-1(5)-ene?
The InChIKey is PEVJKSXXDGFJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-6-7(2)9-5-3-4-8(6)9/h6-7H,3-5H2,1-2H3.
What are the key properties of 6,7-dimethylbicyclo[3.2.0]hept-1(5)-ene?
6,7-dimethylbicyclo[3.2.0]hept-1(5)-ene has a molecular weight of 122.21 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethylbicyclo[3.2.0]hept-1(5)-ene is sourced from PubChem (CID 13182432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).