2-cyclopentyl-1-(1-methoxycyclopentyl)ethanone

C13H22O2 — CID 104610038

IUPAC2-cyclopentyl-1-(1-methoxycyclopentyl)ethanone
SMILESCOC1(C(=O)CC2CCCC2)CCCC1
InChIInChI=1S/C13H22O2/c1-15-13(8-4-5-9-13)12(14)10-11-6-2-3-7-11/h11H,2-10H2,1H3
InChIKeyMLZCWHVAAYILQA-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.10
Rot. Bonds4

About 2-cyclopentyl-1-(1-methoxycyclopentyl)ethanone

2-cyclopentyl-1-(1-methoxycyclopentyl)ethanone (PubChem CID 104610038) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-cyclopentyl-1-(1-methoxycyclopentyl)ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-(1-methoxycyclopentyl)ethanone
PubChem CID104610038
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-cyclopentyl-1-(1-methoxycyclopentyl)ethanone
SMILESCOC1(C(=O)CC2CCCC2)CCCC1
InChIInChI=1S/C13H22O2/c1-15-13(8-4-5-9-13)12(14)10-11-6-2-3-7-11/h11H,2-10H2,1H3
InChIKeyMLZCWHVAAYILQA-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
(5S)-2,2-dimethyl-1-oxaspiro[4.4]nonan-9-one
CID 130983152
2-(3,3-Difluorocyclopentyl)-1-(1-methoxycycloheptyl)ethanone
CID 114224646
4-Cyclopentyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one
CID 20765513
3-Methoxy-3-methyloctan-2-one
CID 20977214
1,2-Dicyclopentyl-2,2-dimethoxyethanone
CID 21326011
1-Cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-one
CID 58375746
(3R)-3-cyclohexyl-3-methoxybutan-2-one
CID 58834294
1-Cyclopentyl-2-ethoxy-5-methylhexan-3-one
CID 59143471
1-Cyclopentyl-5-methyl-2-propoxyhexan-3-one
CID 59143484

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(1-methoxycyclopentyl)ethanone?
The IUPAC name of 2-cyclopentyl-1-(1-methoxycyclopentyl)ethanone (CID 104610038) is 2-cyclopentyl-1-(1-methoxycyclopentyl)ethanone.
What is the SMILES notation for 2-cyclopentyl-1-(1-methoxycyclopentyl)ethanone?
The canonical SMILES for 2-cyclopentyl-1-(1-methoxycyclopentyl)ethanone is COC1(C(=O)CC2CCCC2)CCCC1.
What is the InChIKey of 2-cyclopentyl-1-(1-methoxycyclopentyl)ethanone?
The InChIKey is MLZCWHVAAYILQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-15-13(8-4-5-9-13)12(14)10-11-6-2-3-7-11/h11H,2-10H2,1H3.
What are the key properties of 2-cyclopentyl-1-(1-methoxycyclopentyl)ethanone?
2-cyclopentyl-1-(1-methoxycyclopentyl)ethanone has a molecular weight of 210.32 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(1-methoxycyclopentyl)ethanone is sourced from PubChem (CID 104610038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).