2-methyl-1-[1-(3-methylbutan-2-yloxy)cyclopentyl]propan-1-one

C14H26O2 — CID 176614503

IUPAC2-methyl-1-[1-(3-methylbutan-2-yloxy)cyclopentyl]propan-1-one
SMILESCC(C)C(=O)C1(OC(C)C(C)C)CCCC1
InChIInChI=1S/C14H26O2/c1-10(2)12(5)16-14(8-6-7-9-14)13(15)11(3)4/h10-12H,6-9H2,1-5H3
InChIKeyONFSTKDQNRQPDP-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.59
Rot. Bonds5

About 2-methyl-1-[1-(3-methylbutan-2-yloxy)cyclopentyl]propan-1-one

2-methyl-1-[1-(3-methylbutan-2-yloxy)cyclopentyl]propan-1-one (PubChem CID 176614503) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-methyl-1-[1-(3-methylbutan-2-yloxy)cyclopentyl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[1-(3-methylbutan-2-yloxy)cyclopentyl]propan-1-one
PubChem CID176614503
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-methyl-1-[1-(3-methylbutan-2-yloxy)cyclopentyl]propan-1-one
SMILESCC(C)C(=O)C1(OC(C)C(C)C)CCCC1
InChIInChI=1S/C14H26O2/c1-10(2)12(5)16-14(8-6-7-9-14)13(15)11(3)4/h10-12H,6-9H2,1-5H3
InChIKeyONFSTKDQNRQPDP-UHFFFAOYSA-N
XLogP3.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(1-propan-2-yloxycyclohexyl)propan-1-one
CID 176614549
1-(1-butan-2-yloxycyclopentyl)-2-methylpropan-1-one
CID 176614445
1-(1-methoxycyclopentyl)-2-methylpropan-1-one
CID 104610067
1-(1-ethoxycyclobutyl)-2-methylpropan-1-one
CID 176614668
2-methyl-1-[1-(2-methylpropoxy)cyclohexyl]propan-1-one
CID 176614695
[1-(2-methylpropanoyl)cyclohexyl]oxy formate
CID 175217339
1-(3-hydroxybutan-2-yloxy)cycloheptane-1-carboxylic acid
CID 103377832
1-(3-hydroxybutan-2-yloxy)cyclohexane-1-carboxylic acid
CID 103377699
1-(1-butoxycyclopentyl)-2-methylpropan-1-one
CID 176614425
2-methyl-1-[1-(2-methylbutan-2-yloxy)cyclobutyl]propan-1-one
CID 176614706
1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-one
CID 116749813
2-methyl-1-(1-methylcycloundecyl)propan-1-one
CID 123902684

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(3-methylbutan-2-yloxy)cyclopentyl]propan-1-one?
The IUPAC name of 2-methyl-1-[1-(3-methylbutan-2-yloxy)cyclopentyl]propan-1-one (CID 176614503) is 2-methyl-1-[1-(3-methylbutan-2-yloxy)cyclopentyl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[1-(3-methylbutan-2-yloxy)cyclopentyl]propan-1-one?
The canonical SMILES for 2-methyl-1-[1-(3-methylbutan-2-yloxy)cyclopentyl]propan-1-one is CC(C)C(=O)C1(OC(C)C(C)C)CCCC1.
What is the InChIKey of 2-methyl-1-[1-(3-methylbutan-2-yloxy)cyclopentyl]propan-1-one?
The InChIKey is ONFSTKDQNRQPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-10(2)12(5)16-14(8-6-7-9-14)13(15)11(3)4/h10-12H,6-9H2,1-5H3.
What are the key properties of 2-methyl-1-[1-(3-methylbutan-2-yloxy)cyclopentyl]propan-1-one?
2-methyl-1-[1-(3-methylbutan-2-yloxy)cyclopentyl]propan-1-one has a molecular weight of 226.36 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(3-methylbutan-2-yloxy)cyclopentyl]propan-1-one is sourced from PubChem (CID 176614503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).