3,7-dimethylbicyclo[3.2.0]hept-1(7)-ene

C9H14 — CID 149129589

IUPAC3,7-dimethylbicyclo[3.2.0]hept-1(7)-ene
SMILESCC1=C2CC(C)CC2C1
InChIInChI=1S/C9H14/c1-6-3-8-5-7(2)9(8)4-6/h6,8H,3-5H2,1-2H3
InChIKeyRCCXFGKTPITTGT-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.75
Rot. Bonds

About 3,7-dimethylbicyclo[3.2.0]hept-1(7)-ene

3,7-dimethylbicyclo[3.2.0]hept-1(7)-ene (PubChem CID 149129589) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 3,7-dimethylbicyclo[3.2.0]hept-1(7)-ene.

Molecular Properties

Compound Name3,7-dimethylbicyclo[3.2.0]hept-1(7)-ene
PubChem CID149129589
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name3,7-dimethylbicyclo[3.2.0]hept-1(7)-ene
SMILESCC1=C2CC(C)CC2C1
InChIInChI=1S/C9H14/c1-6-3-8-5-7(2)9(8)4-6/h6,8H,3-5H2,1-2H3
InChIKeyRCCXFGKTPITTGT-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

1,2,3,5-tetramethylcyclohexene
CID 12751060
2,6-dimethylbicyclo[2.2.1]hept-1-ene
CID 56987193
(1R)-2,2,6,8-tetramethyl-3,4,4a,5,6,7-hexahydro-1H-naphthalen-1-ol
CID 175438163
3,7-dimethylbicyclo[3.3.1]nonan-9-one
CID 101110552
(3,5-dimethylcyclohexylidene)oxidanium
CID 140563406
9-ethylidene-4-methyltricyclo[6.2.1.02,7]undec-2(7)-ene
CID 54244186
2-methyl-2,3,3a,4,5,6-hexahydro-1H-indene
CID 145030144
6-(hydroxymethyl)-2,4-dimethylcyclohexen-1-ol
CID 145284011
(1R,5S)-3-methylbicyclo[3.2.1]octan-8-imine
CID 129066405
3,4-dimethylbicyclo[4.1.0]hept-3-ene
CID 12651895
2,3,6,7-tetramethyl-1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene
CID 14398334
3-methyl-8-methylidenebicyclo[3.2.1]octane
CID 90879881

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethylbicyclo[3.2.0]hept-1(7)-ene?
The IUPAC name of 3,7-dimethylbicyclo[3.2.0]hept-1(7)-ene (CID 149129589) is 3,7-dimethylbicyclo[3.2.0]hept-1(7)-ene.
What is the SMILES notation for 3,7-dimethylbicyclo[3.2.0]hept-1(7)-ene?
The canonical SMILES for 3,7-dimethylbicyclo[3.2.0]hept-1(7)-ene is CC1=C2CC(C)CC2C1.
What is the InChIKey of 3,7-dimethylbicyclo[3.2.0]hept-1(7)-ene?
The InChIKey is RCCXFGKTPITTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-6-3-8-5-7(2)9(8)4-6/h6,8H,3-5H2,1-2H3.
What are the key properties of 3,7-dimethylbicyclo[3.2.0]hept-1(7)-ene?
3,7-dimethylbicyclo[3.2.0]hept-1(7)-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 3,7-dimethylbicyclo[3.2.0]hept-1(7)-ene is sourced from PubChem (CID 149129589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).