3-(3,4-dimethylcyclohexyl)oxy-2-propoxycyclobutan-1-one

C15H26O3 — CID 114018828

IUPAC3-(3,4-dimethylcyclohexyl)oxy-2-propoxycyclobutan-1-one
SMILESCCCOC1C(=O)CC1OC1CCC(C)C(C)C1
InChIInChI=1S/C15H26O3/c1-4-7-17-15-13(16)9-14(15)18-12-6-5-10(2)11(3)8-12/h10-12,14-15H,4-9H2,1-3H3
InChIKeyJBBWGFLHOQDUMV-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.96
Rot. Bonds5

About 3-(3,4-dimethylcyclohexyl)oxy-2-propoxycyclobutan-1-one

3-(3,4-dimethylcyclohexyl)oxy-2-propoxycyclobutan-1-one (PubChem CID 114018828) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-(3,4-dimethylcyclohexyl)oxy-2-propoxycyclobutan-1-one.

Molecular Properties

Compound Name3-(3,4-dimethylcyclohexyl)oxy-2-propoxycyclobutan-1-one
PubChem CID114018828
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name3-(3,4-dimethylcyclohexyl)oxy-2-propoxycyclobutan-1-one
SMILESCCCOC1C(=O)CC1OC1CCC(C)C(C)C1
InChIInChI=1S/C15H26O3/c1-4-7-17-15-13(16)9-14(15)18-12-6-5-10(2)11(3)8-12/h10-12,14-15H,4-9H2,1-3H3
InChIKeyJBBWGFLHOQDUMV-UHFFFAOYSA-N
XLogP2.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromo-2-propoxycyclobutyl)oxy-1,2-dimethylcyclohexane
CID 107943018
3-heptoxy-2-propoxycyclobutan-1-one
CID 107942270
2-propoxy-3-(2,2,2-trifluoroethoxy)cyclobutan-1-one
CID 107942238
3-(4-methylphenoxy)-2-propoxycyclobutan-1-one
CID 107942231
4-(3,4-dimethylcyclohexyl)oxy-1,2-dimethylcyclohexane
CID 90160887
3-cyclopentyloxy-2-methoxycyclobutan-1-one
CID 104673374
2-propoxy-3-(2,4,6-trimethylphenoxy)cyclobutan-1-one
CID 107942317
2-ethoxy-3-pentoxycyclobutan-1-one
CID 104675164
3-(2-butoxyethoxy)-2-(2-methoxyethoxy)cyclobutan-1-one
CID 114032115
4-(3,4-dimethylcyclohexyl)oxy-1,2-dimethylcyclohexane;ethane
CID 153365262
2-methoxy-3-(2-methylcyclohexyl)oxycyclobutan-1-one
CID 104673383
3-(2-fluoro-3-methylphenoxy)-2-propoxycyclobutan-1-one
CID 107942425

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylcyclohexyl)oxy-2-propoxycyclobutan-1-one?
The IUPAC name of 3-(3,4-dimethylcyclohexyl)oxy-2-propoxycyclobutan-1-one (CID 114018828) is 3-(3,4-dimethylcyclohexyl)oxy-2-propoxycyclobutan-1-one.
What is the SMILES notation for 3-(3,4-dimethylcyclohexyl)oxy-2-propoxycyclobutan-1-one?
The canonical SMILES for 3-(3,4-dimethylcyclohexyl)oxy-2-propoxycyclobutan-1-one is CCCOC1C(=O)CC1OC1CCC(C)C(C)C1.
What is the InChIKey of 3-(3,4-dimethylcyclohexyl)oxy-2-propoxycyclobutan-1-one?
The InChIKey is JBBWGFLHOQDUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-4-7-17-15-13(16)9-14(15)18-12-6-5-10(2)11(3)8-12/h10-12,14-15H,4-9H2,1-3H3.
What are the key properties of 3-(3,4-dimethylcyclohexyl)oxy-2-propoxycyclobutan-1-one?
3-(3,4-dimethylcyclohexyl)oxy-2-propoxycyclobutan-1-one has a molecular weight of 254.37 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylcyclohexyl)oxy-2-propoxycyclobutan-1-one is sourced from PubChem (CID 114018828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).