1-(cyclohexylmethoxy)-3,3-dimethylbutan-2-one

C13H24O2 — CID 62383747

IUPAC1-(cyclohexylmethoxy)-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)COCC1CCCCC1
InChIInChI=1S/C13H24O2/c1-13(2,3)12(14)10-15-9-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3
InChIKeyAOSYCDWLEIZFEL-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.20
Rot. Bonds4

About 1-(cyclohexylmethoxy)-3,3-dimethylbutan-2-one

1-(cyclohexylmethoxy)-3,3-dimethylbutan-2-one (PubChem CID 62383747) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 1-(cyclohexylmethoxy)-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-(cyclohexylmethoxy)-3,3-dimethylbutan-2-one
PubChem CID62383747
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name1-(cyclohexylmethoxy)-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)COCC1CCCCC1
InChIInChI=1S/C13H24O2/c1-13(2,3)12(14)10-15-9-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3
InChIKeyAOSYCDWLEIZFEL-UHFFFAOYSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethoxy)-3,3-dimethylbutan-2-one?
The IUPAC name of 1-(cyclohexylmethoxy)-3,3-dimethylbutan-2-one (CID 62383747) is 1-(cyclohexylmethoxy)-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-(cyclohexylmethoxy)-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-(cyclohexylmethoxy)-3,3-dimethylbutan-2-one is CC(C)(C)C(=O)COCC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethoxy)-3,3-dimethylbutan-2-one?
The InChIKey is AOSYCDWLEIZFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-13(2,3)12(14)10-15-9-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3.
What are the key properties of 1-(cyclohexylmethoxy)-3,3-dimethylbutan-2-one?
1-(cyclohexylmethoxy)-3,3-dimethylbutan-2-one has a molecular weight of 212.33 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethoxy)-3,3-dimethylbutan-2-one is sourced from PubChem (CID 62383747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).