2-ethoxy-3,3-dimethyl-1-(4-methylcyclohexyl)butan-1-one

C15H28O2 — CID 116710014

IUPAC2-ethoxy-3,3-dimethyl-1-(4-methylcyclohexyl)butan-1-one
SMILESCCOC(C(=O)C1CCC(C)CC1)C(C)(C)C
InChIInChI=1S/C15H28O2/c1-6-17-14(15(3,4)5)13(16)12-9-7-11(2)8-10-12/h11-12,14H,6-10H2,1-5H3
InChIKeySFLKWGDUTWGZFI-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.83
Rot. Bonds4

About 2-ethoxy-3,3-dimethyl-1-(4-methylcyclohexyl)butan-1-one

2-ethoxy-3,3-dimethyl-1-(4-methylcyclohexyl)butan-1-one (PubChem CID 116710014) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-ethoxy-3,3-dimethyl-1-(4-methylcyclohexyl)butan-1-one.

Molecular Properties

Compound Name2-ethoxy-3,3-dimethyl-1-(4-methylcyclohexyl)butan-1-one
PubChem CID116710014
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-ethoxy-3,3-dimethyl-1-(4-methylcyclohexyl)butan-1-one
SMILESCCOC(C(=O)C1CCC(C)CC1)C(C)(C)C
InChIInChI=1S/C15H28O2/c1-6-17-14(15(3,4)5)13(16)12-9-7-11(2)8-10-12/h11-12,14H,6-10H2,1-5H3
InChIKeySFLKWGDUTWGZFI-UHFFFAOYSA-N
XLogP3.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethylcyclohexyl(oxo)acetate
CID 11041407
2-Cyclohexyl-2-ethoxyacetaldehyde
CID 105434553
Ethyl 3-cyclohexyl-2-oxopropanoate
CID 316609
Ethanone, 2-(acetyloxy)-1-cyclohexyl-
CID 4318486
1-Cyclohexyl-2-methoxyethanone
CID 12237915
(1-Cyclohexyl-2-oxopropyl) acetate
CID 20612544
2-Methyl-1-[4-(trifluoromethyl)cyclohexyl]-2-(2,2,4-trimethylpentoxy)propan-1-one
CID 134199493
1-Cyclohexyl-3-ethoxy-2-butanone
CID 552107
1-Cyclohexyl-1-methoxypropan-2-one
CID 57809485
1-[(2S,3R)-3-cyclohexyloxiran-2-yl]ethanone
CID 11412599
2-(2-Ethoxyethyl)-5,5-dimethyl-1,3-cyclohexanedione
CID 13610820
1-Cyclohexyl-3-ethoxy-4,4,5,5,6,6,6-heptafluorohexan-2-one
CID 10405737

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3,3-dimethyl-1-(4-methylcyclohexyl)butan-1-one?
The IUPAC name of 2-ethoxy-3,3-dimethyl-1-(4-methylcyclohexyl)butan-1-one (CID 116710014) is 2-ethoxy-3,3-dimethyl-1-(4-methylcyclohexyl)butan-1-one.
What is the SMILES notation for 2-ethoxy-3,3-dimethyl-1-(4-methylcyclohexyl)butan-1-one?
The canonical SMILES for 2-ethoxy-3,3-dimethyl-1-(4-methylcyclohexyl)butan-1-one is CCOC(C(=O)C1CCC(C)CC1)C(C)(C)C.
What is the InChIKey of 2-ethoxy-3,3-dimethyl-1-(4-methylcyclohexyl)butan-1-one?
The InChIKey is SFLKWGDUTWGZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-6-17-14(15(3,4)5)13(16)12-9-7-11(2)8-10-12/h11-12,14H,6-10H2,1-5H3.
What are the key properties of 2-ethoxy-3,3-dimethyl-1-(4-methylcyclohexyl)butan-1-one?
2-ethoxy-3,3-dimethyl-1-(4-methylcyclohexyl)butan-1-one has a molecular weight of 240.39 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3,3-dimethyl-1-(4-methylcyclohexyl)butan-1-one is sourced from PubChem (CID 116710014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).