1-cyclobutyl-2-(cyclopentylmethoxy)-5,5-dimethylhexan-3-one

C18H32O2 — CID 59143503

IUPAC1-cyclobutyl-2-(cyclopentylmethoxy)-5,5-dimethylhexan-3-one
SMILESCC(C)(C)CC(=O)C(CC1CCC1)OCC1CCCC1
InChIInChI=1S/C18H32O2/c1-18(2,3)12-16(19)17(11-14-9-6-10-14)20-13-15-7-4-5-8-15/h14-15,17H,4-13H2,1-3H3
InChIKeyOZVRETGHKGCUGZ-UHFFFAOYSA-N
MW280.45 g/mol
LogP4.76
Rot. Bonds7

About 1-cyclobutyl-2-(cyclopentylmethoxy)-5,5-dimethylhexan-3-one

1-cyclobutyl-2-(cyclopentylmethoxy)-5,5-dimethylhexan-3-one (PubChem CID 59143503) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is 1-cyclobutyl-2-(cyclopentylmethoxy)-5,5-dimethylhexan-3-one.

Molecular Properties

Compound Name1-cyclobutyl-2-(cyclopentylmethoxy)-5,5-dimethylhexan-3-one
PubChem CID59143503
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name1-cyclobutyl-2-(cyclopentylmethoxy)-5,5-dimethylhexan-3-one
SMILESCC(C)(C)CC(=O)C(CC1CCC1)OCC1CCCC1
InChIInChI=1S/C18H32O2/c1-18(2,3)12-16(19)17(11-14-9-6-10-14)20-13-15-7-4-5-8-15/h14-15,17H,4-13H2,1-3H3
InChIKeyOZVRETGHKGCUGZ-UHFFFAOYSA-N
XLogP4.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.45
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(cyclopentylmethoxy)-5,5-dimethylhexan-3-one?
The IUPAC name of 1-cyclobutyl-2-(cyclopentylmethoxy)-5,5-dimethylhexan-3-one (CID 59143503) is 1-cyclobutyl-2-(cyclopentylmethoxy)-5,5-dimethylhexan-3-one.
What is the SMILES notation for 1-cyclobutyl-2-(cyclopentylmethoxy)-5,5-dimethylhexan-3-one?
The canonical SMILES for 1-cyclobutyl-2-(cyclopentylmethoxy)-5,5-dimethylhexan-3-one is CC(C)(C)CC(=O)C(CC1CCC1)OCC1CCCC1.
What is the InChIKey of 1-cyclobutyl-2-(cyclopentylmethoxy)-5,5-dimethylhexan-3-one?
The InChIKey is OZVRETGHKGCUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2/c1-18(2,3)12-16(19)17(11-14-9-6-10-14)20-13-15-7-4-5-8-15/h14-15,17H,4-13H2,1-3H3.
What are the key properties of 1-cyclobutyl-2-(cyclopentylmethoxy)-5,5-dimethylhexan-3-one?
1-cyclobutyl-2-(cyclopentylmethoxy)-5,5-dimethylhexan-3-one has a molecular weight of 280.45 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(cyclopentylmethoxy)-5,5-dimethylhexan-3-one is sourced from PubChem (CID 59143503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).