3,7,7-trimethylbicyclo[4.1.0]hept-1-ene

C10H16 — CID 14568304

IUPAC3,7,7-trimethylbicyclo[4.1.0]hept-1-ene
SMILESCC1C=C2C(CC1)C2(C)C
InChIInChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h6-8H,4-5H2,1-3H3
InChIKeyKALFVDDBBPRATR-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.00
Rot. Bonds

About 3,7,7-trimethylbicyclo[4.1.0]hept-1-ene

3,7,7-trimethylbicyclo[4.1.0]hept-1-ene (PubChem CID 14568304) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 3,7,7-trimethylbicyclo[4.1.0]hept-1-ene.

Molecular Properties

Compound Name3,7,7-trimethylbicyclo[4.1.0]hept-1-ene
PubChem CID14568304
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name3,7,7-trimethylbicyclo[4.1.0]hept-1-ene
SMILESCC1C=C2C(CC1)C2(C)C
InChIInChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h6-8H,4-5H2,1-3H3
InChIKeyKALFVDDBBPRATR-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.00
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

3-Carene
CID 26049
Elemene
CID 12309449
(+)-3-Carene
CID 443156
Cyclohexene, 4-methyl-1-(1-methylethyl)-
CID 10369
Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R-trans)-
CID 89316
p-Menth-1-ene
CID 21671
(-)-3-Carene
CID 442461
2-Carene, (+)-
CID 78249
alpha-Thujene
CID 17868
2-Carene
CID 79044
4-Carene, (1S,3R,6R)-(-)-
CID 530422
Trans-alpha-Bergamotene
CID 6429302

Frequently Asked Questions

What is the IUPAC name of 3,7,7-trimethylbicyclo[4.1.0]hept-1-ene?
The IUPAC name of 3,7,7-trimethylbicyclo[4.1.0]hept-1-ene (CID 14568304) is 3,7,7-trimethylbicyclo[4.1.0]hept-1-ene.
What is the SMILES notation for 3,7,7-trimethylbicyclo[4.1.0]hept-1-ene?
The canonical SMILES for 3,7,7-trimethylbicyclo[4.1.0]hept-1-ene is CC1C=C2C(CC1)C2(C)C.
What is the InChIKey of 3,7,7-trimethylbicyclo[4.1.0]hept-1-ene?
The InChIKey is KALFVDDBBPRATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h6-8H,4-5H2,1-3H3.
What are the key properties of 3,7,7-trimethylbicyclo[4.1.0]hept-1-ene?
3,7,7-trimethylbicyclo[4.1.0]hept-1-ene has a molecular weight of 136.24 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,7-trimethylbicyclo[4.1.0]hept-1-ene is sourced from PubChem (CID 14568304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).