1-(2-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-one

C14H24O2 — CID 107187091

IUPAC1-(2-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-one
SMILESCC1CCCC1C(=O)CCCC1CCCO1
InChIInChI=1S/C14H24O2/c1-11-5-2-8-13(11)14(15)9-3-6-12-7-4-10-16-12/h11-13H,2-10H2,1H3
InChIKeyIPMVMYHXKVXVGN-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.34
Rot. Bonds5

About 1-(2-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-one

1-(2-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-one (PubChem CID 107187091) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 1-(2-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-one.

Molecular Properties

Compound Name1-(2-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-one
PubChem CID107187091
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name1-(2-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-one
SMILESCC1CCCC1C(=O)CCCC1CCCO1
InChIInChI=1S/C14H24O2/c1-11-5-2-8-13(11)14(15)9-3-6-12-7-4-10-16-12/h11-13H,2-10H2,1H3
InChIKeyIPMVMYHXKVXVGN-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxolan-2-yl)undecan-4-one
CID 114976697
2-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid
CID 81008976
5-[(2R)-oxolan-2-yl]pentanoic acid
CID 67391734
1-(2-methylcyclopentyl)heptan-1-one
CID 107186756
5-(oxolan-2-yl)pentanamide
CID 67128385
4-(oxolan-2-yl)-1-(4-propylcyclohexyl)butan-1-one
CID 65425226
7-(oxolan-2-yl)heptanoic acid
CID 174977398
1-(2-methylpyrrolidin-3-yl)-3-(oxolan-2-yl)propan-1-one
CID 116592114
1-[4-(aminomethyl)cyclohexyl]-4-(oxolan-2-yl)butan-1-one
CID 116592511
2-amino-3-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide
CID 55117010
1-chloro-7-(oxolan-2-yl)heptan-4-one
CID 66044442
1-methylsulfonyl-5-(oxolan-2-yl)pentan-2-one
CID 115646806

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-one?
The IUPAC name of 1-(2-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-one (CID 107187091) is 1-(2-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-one.
What is the SMILES notation for 1-(2-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-one?
The canonical SMILES for 1-(2-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-one is CC1CCCC1C(=O)CCCC1CCCO1.
What is the InChIKey of 1-(2-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-one?
The InChIKey is IPMVMYHXKVXVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-11-5-2-8-13(11)14(15)9-3-6-12-7-4-10-16-12/h11-13H,2-10H2,1H3.
What are the key properties of 1-(2-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-one?
1-(2-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-one has a molecular weight of 224.34 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-one is sourced from PubChem (CID 107187091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).