3-cyclopentyl-1-(1-methoxycycloheptyl)propan-1-one

C16H28O2 — CID 114191963

IUPAC3-cyclopentyl-1-(1-methoxycycloheptyl)propan-1-one
SMILESCOC1(C(=O)CCC2CCCC2)CCCCCC1
InChIInChI=1S/C16H28O2/c1-18-16(12-6-2-3-7-13-16)15(17)11-10-14-8-4-5-9-14/h14H,2-13H2,1H3
InChIKeyUNIASYFKPQJZNN-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.27
Rot. Bonds5

About 3-cyclopentyl-1-(1-methoxycycloheptyl)propan-1-one

3-cyclopentyl-1-(1-methoxycycloheptyl)propan-1-one (PubChem CID 114191963) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-cyclopentyl-1-(1-methoxycycloheptyl)propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-(1-methoxycycloheptyl)propan-1-one
PubChem CID114191963
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name3-cyclopentyl-1-(1-methoxycycloheptyl)propan-1-one
SMILESCOC1(C(=O)CCC2CCCC2)CCCCCC1
InChIInChI=1S/C16H28O2/c1-18-16(12-6-2-3-7-13-16)15(17)11-10-14-8-4-5-9-14/h14H,2-13H2,1H3
InChIKeyUNIASYFKPQJZNN-UHFFFAOYSA-N
XLogP4.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(1-methoxycycloheptyl)propan-1-one?
The IUPAC name of 3-cyclopentyl-1-(1-methoxycycloheptyl)propan-1-one (CID 114191963) is 3-cyclopentyl-1-(1-methoxycycloheptyl)propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-(1-methoxycycloheptyl)propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-(1-methoxycycloheptyl)propan-1-one is COC1(C(=O)CCC2CCCC2)CCCCCC1.
What is the InChIKey of 3-cyclopentyl-1-(1-methoxycycloheptyl)propan-1-one?
The InChIKey is UNIASYFKPQJZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-18-16(12-6-2-3-7-13-16)15(17)11-10-14-8-4-5-9-14/h14H,2-13H2,1H3.
What are the key properties of 3-cyclopentyl-1-(1-methoxycycloheptyl)propan-1-one?
3-cyclopentyl-1-(1-methoxycycloheptyl)propan-1-one has a molecular weight of 252.40 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(1-methoxycycloheptyl)propan-1-one is sourced from PubChem (CID 114191963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).