3-(3-methoxypropyl)cycloheptan-1-one

C11H20O2 — CID 64503860

IUPAC3-(3-methoxypropyl)cycloheptan-1-one
SMILESCOCCCC1CCCCC(=O)C1
InChIInChI=1S/C11H20O2/c1-13-8-4-6-10-5-2-3-7-11(12)9-10/h10H,2-9H2,1H3
InChIKeyHXBBDKPDCRVNAQ-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.56
Rot. Bonds4

About 3-(3-methoxypropyl)cycloheptan-1-one

3-(3-methoxypropyl)cycloheptan-1-one (PubChem CID 64503860) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-(3-methoxypropyl)cycloheptan-1-one.

Molecular Properties

Compound Name3-(3-methoxypropyl)cycloheptan-1-one
PubChem CID64503860
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-(3-methoxypropyl)cycloheptan-1-one
SMILESCOCCCC1CCCCC(=O)C1
InChIInChI=1S/C11H20O2/c1-13-8-4-6-10-5-2-3-7-11(12)9-10/h10H,2-9H2,1H3
InChIKeyHXBBDKPDCRVNAQ-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.56
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 3-(3-methoxypropyl)cycloheptan-1-one?
The IUPAC name of 3-(3-methoxypropyl)cycloheptan-1-one (CID 64503860) is 3-(3-methoxypropyl)cycloheptan-1-one.
What is the SMILES notation for 3-(3-methoxypropyl)cycloheptan-1-one?
The canonical SMILES for 3-(3-methoxypropyl)cycloheptan-1-one is COCCCC1CCCCC(=O)C1.
What is the InChIKey of 3-(3-methoxypropyl)cycloheptan-1-one?
The InChIKey is HXBBDKPDCRVNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-13-8-4-6-10-5-2-3-7-11(12)9-10/h10H,2-9H2,1H3.
What are the key properties of 3-(3-methoxypropyl)cycloheptan-1-one?
3-(3-methoxypropyl)cycloheptan-1-one has a molecular weight of 184.28 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)cycloheptan-1-one is sourced from PubChem (CID 64503860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).