(1R,6S,7R)-3,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-3-ene

C15H24 — CID 13350909

IUPAC(1R,6S,7R)-3,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-3-ene
SMILESCC(C)=CCC[C@@]1(C)[C@@H]2CC(C)=CC[C@@H]21
InChIInChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)10-14(13)15/h6-7,13-14H,5,8-10H2,1-4H3/t13-,14+,15+/m0/s1
InChIKeyGCKYMVUJOFOQGK-RRFJBIMHSA-N
MW204.36 g/mol
LogP4.73
Rot. Bonds3

About (1R,6S,7R)-3,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-3-ene

(1R,6S,7R)-3,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-3-ene (PubChem CID 13350909) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1R,6S,7R)-3,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-3-ene.

Molecular Properties

Compound Name(1R,6S,7R)-3,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-3-ene
PubChem CID13350909
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1R,6S,7R)-3,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-3-ene
SMILESCC(C)=CCC[C@@]1(C)[C@@H]2CC(C)=CC[C@@H]21
InChIInChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)10-14(13)15/h6-7,13-14H,5,8-10H2,1-4H3/t13-,14+,15+/m0/s1
InChIKeyGCKYMVUJOFOQGK-RRFJBIMHSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1R,6S,7R)-3,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-3-ene with MolForge

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Related Compounds

3-Carene
CID 26049
(+)-3-Carene
CID 443156
Elemene
CID 12309449
Cyclohexene, 4-methyl-1-(1-methylethyl)-
CID 10369
Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R-trans)-
CID 89316
(-)-3-Carene
CID 442461
2-Carene, (+)-
CID 78249
alpha-Thujene
CID 17868
4-Carene, (1S,3R,6R)-(-)-
CID 530422
Trans-alpha-Bergamotene
CID 6429302
2-Carene
CID 79044
Thujopsene
CID 442402

Frequently Asked Questions

What is the IUPAC name of (1R,6S,7R)-3,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-3-ene?
The IUPAC name of (1R,6S,7R)-3,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-3-ene (CID 13350909) is (1R,6S,7R)-3,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-3-ene.
What is the SMILES notation for (1R,6S,7R)-3,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-3-ene?
The canonical SMILES for (1R,6S,7R)-3,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-3-ene is CC(C)=CCC[C@@]1(C)[C@@H]2CC(C)=CC[C@@H]21.
What is the InChIKey of (1R,6S,7R)-3,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-3-ene?
The InChIKey is GCKYMVUJOFOQGK-RRFJBIMHSA-N. The full InChI is InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)10-14(13)15/h6-7,13-14H,5,8-10H2,1-4H3/t13-,14+,15+/m0/s1.
What are the key properties of (1R,6S,7R)-3,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-3-ene?
(1R,6S,7R)-3,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-3-ene has a molecular weight of 204.36 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S,7R)-3,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-3-ene is sourced from PubChem (CID 13350909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).