4-methoxy-4-methyl-1-(3-methylcyclohexyl)pentan-1-one

C14H26O2 — CID 103035308

IUPAC4-methoxy-4-methyl-1-(3-methylcyclohexyl)pentan-1-one
SMILESCOC(C)(C)CCC(=O)C1CCCC(C)C1
InChIInChI=1S/C14H26O2/c1-11-6-5-7-12(10-11)13(15)8-9-14(2,3)16-4/h11-12H,5-10H2,1-4H3
InChIKeyDFMPVIAXIANNTO-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.59
Rot. Bonds5

About 4-methoxy-4-methyl-1-(3-methylcyclohexyl)pentan-1-one

4-methoxy-4-methyl-1-(3-methylcyclohexyl)pentan-1-one (PubChem CID 103035308) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(3-methylcyclohexyl)pentan-1-one.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(3-methylcyclohexyl)pentan-1-one
PubChem CID103035308
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name4-methoxy-4-methyl-1-(3-methylcyclohexyl)pentan-1-one
SMILESCOC(C)(C)CCC(=O)C1CCCC(C)C1
InChIInChI=1S/C14H26O2/c1-11-6-5-7-12(10-11)13(15)8-9-14(2,3)16-4/h11-12H,5-10H2,1-4H3
InChIKeyDFMPVIAXIANNTO-UHFFFAOYSA-N
XLogP3.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-4-methyl-1-(3-methylcyclopentyl)pentan-1-one
CID 103035343
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-methoxy-4-methylpentan-1-one
CID 103024464
4,4-dimethyl-1-(3-methylcyclopentyl)pentan-1-one
CID 65402131
2-(tert-butylamino)-1-(3-methylcyclohexyl)ethanone
CID 116588854
1-(1,1-dioxothiolan-3-yl)-4-methoxy-4-methylpentan-1-one
CID 103024539
2-amino-1-(3-methylcyclohexyl)ethanone
CID 116548396
ethane;1-(3-methylcyclohexyl)pent-4-en-1-one
CID 143043264
cis-methyl (1R,3S)-3-methylcyclohexane-1-carboxylate
CID 91799283
methyl (1S)-3-methylcyclohexane-1-carboxylate
CID 89338226
trans-(1S,3S)-3-methylcyclohexane-1-carboxylic acid
CID 86308884
4-methoxy-1-(1-methoxy-3-methylcyclohexyl)-4-methylpentan-1-one
CID 103035447
2-methyl-1-(3-methylcyclohexyl)-2-methylsulfonylpropan-1-one
CID 114976304

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-(3-methylcyclohexyl)pentan-1-one?
The IUPAC name of 4-methoxy-4-methyl-1-(3-methylcyclohexyl)pentan-1-one (CID 103035308) is 4-methoxy-4-methyl-1-(3-methylcyclohexyl)pentan-1-one.
What is the SMILES notation for 4-methoxy-4-methyl-1-(3-methylcyclohexyl)pentan-1-one?
The canonical SMILES for 4-methoxy-4-methyl-1-(3-methylcyclohexyl)pentan-1-one is COC(C)(C)CCC(=O)C1CCCC(C)C1.
What is the InChIKey of 4-methoxy-4-methyl-1-(3-methylcyclohexyl)pentan-1-one?
The InChIKey is DFMPVIAXIANNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-11-6-5-7-12(10-11)13(15)8-9-14(2,3)16-4/h11-12H,5-10H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-1-(3-methylcyclohexyl)pentan-1-one?
4-methoxy-4-methyl-1-(3-methylcyclohexyl)pentan-1-one has a molecular weight of 226.36 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-(3-methylcyclohexyl)pentan-1-one is sourced from PubChem (CID 103035308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).