4-(5-methoxyheptyl)bicyclo[3.2.0]heptan-6-one

C15H26O2 — CID 14204096

IUPAC4-(5-methoxyheptyl)bicyclo[3.2.0]heptan-6-one
SMILESCCC(CCCCC1CCC2CC(=O)C12)OC
InChIInChI=1S/C15H26O2/c1-3-13(17-2)7-5-4-6-11-8-9-12-10-14(16)15(11)12/h11-13,15H,3-10H2,1-2H3
InChIKeyGMGBTXHWVCBYHC-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.59
Rot. Bonds7

About 4-(5-methoxyheptyl)bicyclo[3.2.0]heptan-6-one

4-(5-methoxyheptyl)bicyclo[3.2.0]heptan-6-one (PubChem CID 14204096) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-(5-methoxyheptyl)bicyclo[3.2.0]heptan-6-one.

Molecular Properties

Compound Name4-(5-methoxyheptyl)bicyclo[3.2.0]heptan-6-one
PubChem CID14204096
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name4-(5-methoxyheptyl)bicyclo[3.2.0]heptan-6-one
SMILESCCC(CCCCC1CCC2CC(=O)C12)OC
InChIInChI=1S/C15H26O2/c1-3-13(17-2)7-5-4-6-11-8-9-12-10-14(16)15(11)12/h11-13,15H,3-10H2,1-2H3
InChIKeyGMGBTXHWVCBYHC-UHFFFAOYSA-N
XLogP3.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxyheptyl)bicyclo[3.2.0]heptan-6-one?
The IUPAC name of 4-(5-methoxyheptyl)bicyclo[3.2.0]heptan-6-one (CID 14204096) is 4-(5-methoxyheptyl)bicyclo[3.2.0]heptan-6-one.
What is the SMILES notation for 4-(5-methoxyheptyl)bicyclo[3.2.0]heptan-6-one?
The canonical SMILES for 4-(5-methoxyheptyl)bicyclo[3.2.0]heptan-6-one is CCC(CCCCC1CCC2CC(=O)C12)OC.
What is the InChIKey of 4-(5-methoxyheptyl)bicyclo[3.2.0]heptan-6-one?
The InChIKey is GMGBTXHWVCBYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-3-13(17-2)7-5-4-6-11-8-9-12-10-14(16)15(11)12/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 4-(5-methoxyheptyl)bicyclo[3.2.0]heptan-6-one?
4-(5-methoxyheptyl)bicyclo[3.2.0]heptan-6-one has a molecular weight of 238.37 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxyheptyl)bicyclo[3.2.0]heptan-6-one is sourced from PubChem (CID 14204096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).