1,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-2-one

C15H24O — CID 5315646

IUPAC1,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-2-one
SMILESCC(C)=CCCC1(C)C2CCC1(C)C(=O)C2
InChIInChI=1S/C15H24O/c1-11(2)6-5-8-14(3)12-7-9-15(14,4)13(16)10-12/h6,12H,5,7-10H2,1-4H3
InChIKeyUTVLNNVHVYZXEC-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.13
Rot. Bonds3

About 1,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-2-one

1,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-2-one (PubChem CID 5315646) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name1,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-2-one
PubChem CID5315646
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-2-one
SMILESCC(C)=CCCC1(C)C2CCC1(C)C(=O)C2
InChIInChI=1S/C15H24O/c1-11(2)6-5-8-14(3)12-7-9-15(14,4)13(16)10-12/h6,12H,5,7-10H2,1-4H3
InChIKeyUTVLNNVHVYZXEC-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-2-one?
The IUPAC name of 1,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-2-one (CID 5315646) is 1,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 1,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 1,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-2-one is CC(C)=CCCC1(C)C2CCC1(C)C(=O)C2.
What is the InChIKey of 1,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-2-one?
The InChIKey is UTVLNNVHVYZXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-11(2)6-5-8-14(3)12-7-9-15(14,4)13(16)10-12/h6,12H,5,7-10H2,1-4H3.
What are the key properties of 1,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-2-one?
1,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-2-one has a molecular weight of 220.36 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 5315646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).