2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexan-1-one

C15H28O2 — CID 103034525

IUPAC2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexan-1-one
SMILESCOC(C)(C)CCC1CC(C(C)C)CCC1=O
InChIInChI=1S/C15H28O2/c1-11(2)12-6-7-14(16)13(10-12)8-9-15(3,4)17-5/h11-13H,6-10H2,1-5H3
InChIKeyLORVEPPCCZXLER-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.83
Rot. Bonds5

About 2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexan-1-one

2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexan-1-one (PubChem CID 103034525) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexan-1-one
PubChem CID103034525
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexan-1-one
SMILESCOC(C)(C)CCC1CC(C(C)C)CCC1=O
InChIInChI=1S/C15H28O2/c1-11(2)12-6-7-14(16)13(10-12)8-9-15(3,4)17-5/h11-13H,6-10H2,1-5H3
InChIKeyLORVEPPCCZXLER-UHFFFAOYSA-N
XLogP3.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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

2-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-one
CID 63399886
2-(2-tert-butylsulfonylethyl)-4-propan-2-ylcyclohexan-1-one
CID 106727068
2-(3-ethoxypropyl)-4-propan-2-ylcyclohexan-1-one
CID 65181031
3-(3-methoxy-3-methylbutyl)piperidin-4-one
CID 103034534
2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 103019615
2-[(E)-3-chloroprop-2-enyl]-4-propan-2-ylcyclohexan-1-one
CID 107900844
1-[2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine
CID 103020146
4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexan-1-one
CID 63774381
2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexan-1-one
CID 62740751
2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 62707930
2-[(6-methoxy-2-pyridinyl)methyl]-4-propan-2-ylcyclohexan-1-one
CID 79417074
2-[(5-bromo-2-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-one
CID 63399847

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexan-1-one?
The IUPAC name of 2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexan-1-one (CID 103034525) is 2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexan-1-one.
What is the SMILES notation for 2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexan-1-one?
The canonical SMILES for 2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexan-1-one is COC(C)(C)CCC1CC(C(C)C)CCC1=O.
What is the InChIKey of 2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexan-1-one?
The InChIKey is LORVEPPCCZXLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-11(2)12-6-7-14(16)13(10-12)8-9-15(3,4)17-5/h11-13H,6-10H2,1-5H3.
What are the key properties of 2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexan-1-one?
2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexan-1-one has a molecular weight of 240.39 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexan-1-one is sourced from PubChem (CID 103034525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).