2-(3,4-dimethylhex-5-en-2-yl)bicyclo[2.2.1]hept-2-ene

C15H24 — CID 174973314

IUPAC2-(3,4-dimethylhex-5-en-2-yl)bicyclo[2.2.1]hept-2-ene
SMILESC=CC(C)C(C)C(C)C1=CC2CCC1C2
InChIInChI=1S/C15H24/c1-5-10(2)11(3)12(4)15-9-13-6-7-14(15)8-13/h5,9-14H,1,6-8H2,2-4H3
InChIKeyXCBXFRDXPRHDFN-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.44
Rot. Bonds4

About 2-(3,4-dimethylhex-5-en-2-yl)bicyclo[2.2.1]hept-2-ene

2-(3,4-dimethylhex-5-en-2-yl)bicyclo[2.2.1]hept-2-ene (PubChem CID 174973314) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 2-(3,4-dimethylhex-5-en-2-yl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name2-(3,4-dimethylhex-5-en-2-yl)bicyclo[2.2.1]hept-2-ene
PubChem CID174973314
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name2-(3,4-dimethylhex-5-en-2-yl)bicyclo[2.2.1]hept-2-ene
SMILESC=CC(C)C(C)C(C)C1=CC2CCC1C2
InChIInChI=1S/C15H24/c1-5-10(2)11(3)12(4)15-9-13-6-7-14(15)8-13/h5,9-14H,1,6-8H2,2-4H3
InChIKeyXCBXFRDXPRHDFN-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.44
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 2-(3,4-dimethylhex-5-en-2-yl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 2-(3,4-dimethylhex-5-en-2-yl)bicyclo[2.2.1]hept-2-ene (CID 174973314) is 2-(3,4-dimethylhex-5-en-2-yl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 2-(3,4-dimethylhex-5-en-2-yl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 2-(3,4-dimethylhex-5-en-2-yl)bicyclo[2.2.1]hept-2-ene is C=CC(C)C(C)C(C)C1=CC2CCC1C2.
What is the InChIKey of 2-(3,4-dimethylhex-5-en-2-yl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is XCBXFRDXPRHDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-5-10(2)11(3)12(4)15-9-13-6-7-14(15)8-13/h5,9-14H,1,6-8H2,2-4H3.
What are the key properties of 2-(3,4-dimethylhex-5-en-2-yl)bicyclo[2.2.1]hept-2-ene?
2-(3,4-dimethylhex-5-en-2-yl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 204.36 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylhex-5-en-2-yl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 174973314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).