(1R,5S,6S)-2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-2-ene

C15H24 — CID 10998132

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

About (1R,5S,6S)-2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-2-ene

(1R,5S,6S)-2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-2-ene (PubChem CID 10998132) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1R,5S,6S)-2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-2-ene.

Molecular Properties

Compound Name(1R,5S,6S)-2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-2-ene
PubChem CID10998132
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1R,5S,6S)-2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-2-ene
SMILESCC(C)=CCC[C@@]1(C)CC=C(C)[C@@H]2C[C@@H]21
InChIInChI=1S/C15H24/c1-11(2)6-5-8-15(4)9-7-12(3)13-10-14(13)15/h6-7,13-14H,5,8-10H2,1-4H3/t13-,14-,15-/m0/s1
InChIKeyCDHIBJQCMHGRHI-KKUMJFAQSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (1R,5S,6S)-2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-2-ene?
The IUPAC name of (1R,5S,6S)-2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-2-ene (CID 10998132) is (1R,5S,6S)-2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-2-ene.
What is the SMILES notation for (1R,5S,6S)-2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-2-ene?
The canonical SMILES for (1R,5S,6S)-2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-2-ene is CC(C)=CCC[C@@]1(C)CC=C(C)[C@@H]2C[C@@H]21.
What is the InChIKey of (1R,5S,6S)-2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-2-ene?
The InChIKey is CDHIBJQCMHGRHI-KKUMJFAQSA-N. The full InChI is InChI=1S/C15H24/c1-11(2)6-5-8-15(4)9-7-12(3)13-10-14(13)15/h6-7,13-14H,5,8-10H2,1-4H3/t13-,14-,15-/m0/s1.
What are the key properties of (1R,5S,6S)-2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-2-ene?
(1R,5S,6S)-2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-2-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,5S,6S)-2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-2-ene is sourced from PubChem (CID 10998132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).