2-methyl-1-[1-(3-methylbutoxy)cyclopropyl]propan-1-one

C12H22O2 — CID 176614654

IUPAC2-methyl-1-[1-(3-methylbutoxy)cyclopropyl]propan-1-one
SMILESCC(C)CCOC1(C(=O)C(C)C)CC1
InChIInChI=1S/C12H22O2/c1-9(2)5-8-14-12(6-7-12)11(13)10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyAYAZVJQOFSTASR-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.81
Rot. Bonds6

About 2-methyl-1-[1-(3-methylbutoxy)cyclopropyl]propan-1-one

2-methyl-1-[1-(3-methylbutoxy)cyclopropyl]propan-1-one (PubChem CID 176614654) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-methyl-1-[1-(3-methylbutoxy)cyclopropyl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[1-(3-methylbutoxy)cyclopropyl]propan-1-one
PubChem CID176614654
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-methyl-1-[1-(3-methylbutoxy)cyclopropyl]propan-1-one
SMILESCC(C)CCOC1(C(=O)C(C)C)CC1
InChIInChI=1S/C12H22O2/c1-9(2)5-8-14-12(6-7-12)11(13)10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyAYAZVJQOFSTASR-UHFFFAOYSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-hexoxycyclopropyl)-2-methylpropan-1-one
CID 176614699
1-(3-methylbutoxy)cycloheptane-1-carboxylic acid
CID 114988579
1-(1-butoxycyclopentyl)-2-methylpropan-1-one
CID 176614425
1-(1-ethoxycyclobutyl)-2-methylpropan-1-one
CID 176614668
2-methyl-1-[1-(2-methylpropoxy)cyclohexyl]propan-1-one
CID 176614695
1-(1-methoxycyclopentyl)-2-methylpropan-1-one
CID 104610067
2-methyl-1-[1-(2-methylbutan-2-yloxy)cyclobutyl]propan-1-one
CID 176614706
2-(2-methoxyethoxy)ethyl [1-(2-methylpropanoyl)cyclopropyl] hydrogen phosphate
CID 177092599
3-methyl-4-[1-(2-methylpropanoyl)cyclopropyl]oxy-1-morpholin-4-ylbutan-2-one
CID 167063591
3-methylbutyl 1-(hydroxymethyl)cyclopropane-1-carboxylate
CID 176870184
1-(1-butan-2-yloxycyclopentyl)-2-methylpropan-1-one
CID 176614445
2-methyl-1-(1-propan-2-yloxycyclohexyl)propan-1-one
CID 176614549

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(3-methylbutoxy)cyclopropyl]propan-1-one?
The IUPAC name of 2-methyl-1-[1-(3-methylbutoxy)cyclopropyl]propan-1-one (CID 176614654) is 2-methyl-1-[1-(3-methylbutoxy)cyclopropyl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[1-(3-methylbutoxy)cyclopropyl]propan-1-one?
The canonical SMILES for 2-methyl-1-[1-(3-methylbutoxy)cyclopropyl]propan-1-one is CC(C)CCOC1(C(=O)C(C)C)CC1.
What is the InChIKey of 2-methyl-1-[1-(3-methylbutoxy)cyclopropyl]propan-1-one?
The InChIKey is AYAZVJQOFSTASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-9(2)5-8-14-12(6-7-12)11(13)10(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-methyl-1-[1-(3-methylbutoxy)cyclopropyl]propan-1-one?
2-methyl-1-[1-(3-methylbutoxy)cyclopropyl]propan-1-one has a molecular weight of 198.31 g/mol, XLogP of 2.81, 6 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-methylbutoxy)cyclopropyl]propan-1-one is sourced from PubChem (CID 176614654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).