1-cyclopentyl-2-methoxy-2-methylbutan-1-one

C11H20O2 — CID 116746785

IUPAC1-cyclopentyl-2-methoxy-2-methylbutan-1-one
SMILESCCC(C)(OC)C(=O)C1CCCC1
InChIInChI=1S/C11H20O2/c1-4-11(2,13-3)10(12)9-7-5-6-8-9/h9H,4-8H2,1-3H3
InChIKeyVGXIYPMLRVAZMD-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.56
Rot. Bonds4

About 1-cyclopentyl-2-methoxy-2-methylbutan-1-one

1-cyclopentyl-2-methoxy-2-methylbutan-1-one (PubChem CID 116746785) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-cyclopentyl-2-methoxy-2-methylbutan-1-one.

Molecular Properties

Compound Name1-cyclopentyl-2-methoxy-2-methylbutan-1-one
PubChem CID116746785
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-cyclopentyl-2-methoxy-2-methylbutan-1-one
SMILESCCC(C)(OC)C(=O)C1CCCC1
InChIInChI=1S/C11H20O2/c1-4-11(2,13-3)10(12)9-7-5-6-8-9/h9H,4-8H2,1-3H3
InChIKeyVGXIYPMLRVAZMD-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

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Related Compounds

1-Cyclopentyl-2-methoxyethan-1-one
CID 13108541
1-(1-Methoxycyclopentyl)ethan-1-one
CID 58834314
1-Cyclopentyl-3-ethoxypropan-2-one
CID 316616
5-Methoxy-5-methylundecane-2,4-dione
CID 12416286
2,6-Dimethyl-6-methoxy-3,5-dodecanedione
CID 13719533
10-Methoxy-6,10-dimethylundecan-2-one
CID 15595758
6-Fluoro-1-methoxy-3,6-dimethyloctane-2,7-dione
CID 169919456
(6R,10S,14S,23S,27R)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriacontan-3-one
CID 445195
(6S,10S,27R)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriacontan-3-one
CID 446631
(23S)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriacontan-3-one
CID 447191
(6S)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriacontan-3-one
CID 11963521
2-Methyl-2-methoxynonane-3,5-dione
CID 85669124

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-methoxy-2-methylbutan-1-one?
The IUPAC name of 1-cyclopentyl-2-methoxy-2-methylbutan-1-one (CID 116746785) is 1-cyclopentyl-2-methoxy-2-methylbutan-1-one.
What is the SMILES notation for 1-cyclopentyl-2-methoxy-2-methylbutan-1-one?
The canonical SMILES for 1-cyclopentyl-2-methoxy-2-methylbutan-1-one is CCC(C)(OC)C(=O)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-methoxy-2-methylbutan-1-one?
The InChIKey is VGXIYPMLRVAZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-11(2,13-3)10(12)9-7-5-6-8-9/h9H,4-8H2,1-3H3.
What are the key properties of 1-cyclopentyl-2-methoxy-2-methylbutan-1-one?
1-cyclopentyl-2-methoxy-2-methylbutan-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 1-cyclopentyl-2-methoxy-2-methylbutan-1-one is sourced from PubChem (CID 116746785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).