1-(1-butoxycyclopentyl)-2-methylpropan-1-one

C13H24O2 — CID 176614425

IUPAC1-(1-butoxycyclopentyl)-2-methylpropan-1-one
SMILESCCCCOC1(C(=O)C(C)C)CCCC1
InChIInChI=1S/C13H24O2/c1-4-5-10-15-13(8-6-7-9-13)12(14)11(2)3/h11H,4-10H2,1-3H3
InChIKeyNONUTJBQODPNLH-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.34
Rot. Bonds6

About 1-(1-butoxycyclopentyl)-2-methylpropan-1-one

1-(1-butoxycyclopentyl)-2-methylpropan-1-one (PubChem CID 176614425) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 1-(1-butoxycyclopentyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(1-butoxycyclopentyl)-2-methylpropan-1-one
PubChem CID176614425
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name1-(1-butoxycyclopentyl)-2-methylpropan-1-one
SMILESCCCCOC1(C(=O)C(C)C)CCCC1
InChIInChI=1S/C13H24O2/c1-4-5-10-15-13(8-6-7-9-13)12(14)11(2)3/h11H,4-10H2,1-3H3
InChIKeyNONUTJBQODPNLH-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-hexoxycyclopropyl)-2-methylpropan-1-one
CID 176614699
1-(1-ethoxycyclobutyl)-2-methylpropan-1-one
CID 176614668
2-methyl-1-[1-(2-methylpropoxy)cyclohexyl]propan-1-one
CID 176614695
2-methyl-1-[1-(3-methylbutoxy)cyclopropyl]propan-1-one
CID 176614654
1-(2-butoxyethoxy)cyclopentane-1-carboxylic acid
CID 114990948
1-(1-butan-2-yloxycyclopentyl)-2-methylpropan-1-one
CID 176614445
1-(1-methoxycyclopentyl)-2-methylpropan-1-one
CID 104610067
2-methyl-1-[1-(2-methylbutan-2-yloxy)cyclobutyl]propan-1-one
CID 176614706
2-methyl-1-(1-propan-2-yloxycyclohexyl)propan-1-one
CID 176614549
2-methyl-1-[1-(3-methylbutan-2-yloxy)cyclopentyl]propan-1-one
CID 176614503
[1-(2-methylpropanoyl)cyclohexyl]oxy formate
CID 175217339
1,1-dibutoxycyclopentane
CID 18792031

Frequently Asked Questions

What is the IUPAC name of 1-(1-butoxycyclopentyl)-2-methylpropan-1-one?
The IUPAC name of 1-(1-butoxycyclopentyl)-2-methylpropan-1-one (CID 176614425) is 1-(1-butoxycyclopentyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(1-butoxycyclopentyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(1-butoxycyclopentyl)-2-methylpropan-1-one is CCCCOC1(C(=O)C(C)C)CCCC1.
What is the InChIKey of 1-(1-butoxycyclopentyl)-2-methylpropan-1-one?
The InChIKey is NONUTJBQODPNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-5-10-15-13(8-6-7-9-13)12(14)11(2)3/h11H,4-10H2,1-3H3.
What are the key properties of 1-(1-butoxycyclopentyl)-2-methylpropan-1-one?
1-(1-butoxycyclopentyl)-2-methylpropan-1-one has a molecular weight of 212.33 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butoxycyclopentyl)-2-methylpropan-1-one is sourced from PubChem (CID 176614425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).