1-(1-ethoxycyclobutyl)-2-methylpropan-1-one

C10H18O2 — CID 176614668

IUPAC1-(1-ethoxycyclobutyl)-2-methylpropan-1-one
SMILESCCOC1(C(=O)C(C)C)CCC1
InChIInChI=1S/C10H18O2/c1-4-12-10(6-5-7-10)9(11)8(2)3/h8H,4-7H2,1-3H3
InChIKeyPVASOMDPHYFFDO-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.17
Rot. Bonds4

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

1-(1-ethoxycyclobutyl)-2-methylpropan-1-one (PubChem CID 176614668) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-(1-ethoxycyclobutyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(1-ethoxycyclobutyl)-2-methylpropan-1-one
PubChem CID176614668
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-(1-ethoxycyclobutyl)-2-methylpropan-1-one
SMILESCCOC1(C(=O)C(C)C)CCC1
InChIInChI=1S/C10H18O2/c1-4-12-10(6-5-7-10)9(11)8(2)3/h8H,4-7H2,1-3H3
InChIKeyPVASOMDPHYFFDO-UHFFFAOYSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-one
CID 116749813
1-(1-butoxycyclopentyl)-2-methylpropan-1-one
CID 176614425
2-methyl-1-[1-(2-methylpropoxy)cyclohexyl]propan-1-one
CID 176614695
2-methyl-1-[1-(2-methylbutan-2-yloxy)cyclobutyl]propan-1-one
CID 176614706
1-(1-butan-2-yloxycyclopentyl)-2-methylpropan-1-one
CID 176614445
1-(1-methoxycyclopentyl)-2-methylpropan-1-one
CID 104610067
tert-butyl 3-(1-ethoxycyclohexyl)-2-methyl-3-oxopropanoate
CID 116774910
2-methyl-1-[1-(3-methylbutoxy)cyclopropyl]propan-1-one
CID 176614654
1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-one
CID 107896407
1-(1-hexoxycyclopropyl)-2-methylpropan-1-one
CID 176614699
2-methyl-1-(1-propan-2-yloxycyclohexyl)propan-1-one
CID 176614549
1-(1-ethoxycyclopentyl)-5-methylhexan-1-one
CID 116747883

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclobutyl)-2-methylpropan-1-one?
The IUPAC name of 1-(1-ethoxycyclobutyl)-2-methylpropan-1-one (CID 176614668) is 1-(1-ethoxycyclobutyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(1-ethoxycyclobutyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(1-ethoxycyclobutyl)-2-methylpropan-1-one is CCOC1(C(=O)C(C)C)CCC1.
What is the InChIKey of 1-(1-ethoxycyclobutyl)-2-methylpropan-1-one?
The InChIKey is PVASOMDPHYFFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-12-10(6-5-7-10)9(11)8(2)3/h8H,4-7H2,1-3H3.
What are the key properties of 1-(1-ethoxycyclobutyl)-2-methylpropan-1-one?
1-(1-ethoxycyclobutyl)-2-methylpropan-1-one has a molecular weight of 170.25 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclobutyl)-2-methylpropan-1-one is sourced from PubChem (CID 176614668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).