1-O-methyl 4-O-(1-methylcyclohexyl) 2,3-dimethylbutanedioate

C14H24O4 — CID 18731139

IUPAC1-O-methyl 4-O-(1-methylcyclohexyl) 2,3-dimethylbutanedioate
SMILESCOC(=O)C(C)C(C)C(=O)OC1(C)CCCCC1
InChIInChI=1S/C14H24O4/c1-10(12(15)17-4)11(2)13(16)18-14(3)8-6-5-7-9-14/h10-11H,5-9H2,1-4H3
InChIKeySYMOSJIHRSOKLJ-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.70
Rot. Bonds4

About 1-O-methyl 4-O-(1-methylcyclohexyl) 2,3-dimethylbutanedioate

1-O-methyl 4-O-(1-methylcyclohexyl) 2,3-dimethylbutanedioate (PubChem CID 18731139) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-O-methyl 4-O-(1-methylcyclohexyl) 2,3-dimethylbutanedioate.

Molecular Properties

Compound Name1-O-methyl 4-O-(1-methylcyclohexyl) 2,3-dimethylbutanedioate
PubChem CID18731139
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name1-O-methyl 4-O-(1-methylcyclohexyl) 2,3-dimethylbutanedioate
SMILESCOC(=O)C(C)C(C)C(=O)OC1(C)CCCCC1
InChIInChI=1S/C14H24O4/c1-10(12(15)17-4)11(2)13(16)18-14(3)8-6-5-7-9-14/h10-11H,5-9H2,1-4H3
InChIKeySYMOSJIHRSOKLJ-UHFFFAOYSA-N
XLogP2.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (1-methylcycloheptyl) carbonate
CID 172553116
bis(1-methylcyclohexyl) oxalate
CID 154101354
(1-methylcyclohexyl) 2,3,3-trimethylpentanoate
CID 123317170
3-methyl-4-(1-methylcyclopentyl)oxy-4-oxobutanoic acid
CID 155669879
methyl (2S)-2-amino-3-(1-methylcyclopentyl)propanoate
CID 58564877
methyl 2-amino-2-(1-methylcycloheptyl)acetate
CID 130949608
(1-methylcyclohexyl) carbamate;(1-methylcyclohexyl)carbamic acid
CID 175741897
3-methylbutan-2-yl (1-methylcyclohexyl) carbonate
CID 58096721
(1-methylcyclopentyl) 2-methylpropyl carbonate
CID 54223354
methyl 3-(3-azaspiro[5.5]undecan-3-yl)-2-methylbutanoate
CID 79414044
[3-(1-methylcyclohexyl)oxy-3-oxopropyl] 2-methylpropanoate
CID 147929814
[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2-methoxyacetate
CID 58100469

Frequently Asked Questions

What is the IUPAC name of 1-O-methyl 4-O-(1-methylcyclohexyl) 2,3-dimethylbutanedioate?
The IUPAC name of 1-O-methyl 4-O-(1-methylcyclohexyl) 2,3-dimethylbutanedioate (CID 18731139) is 1-O-methyl 4-O-(1-methylcyclohexyl) 2,3-dimethylbutanedioate.
What is the SMILES notation for 1-O-methyl 4-O-(1-methylcyclohexyl) 2,3-dimethylbutanedioate?
The canonical SMILES for 1-O-methyl 4-O-(1-methylcyclohexyl) 2,3-dimethylbutanedioate is COC(=O)C(C)C(C)C(=O)OC1(C)CCCCC1.
What is the InChIKey of 1-O-methyl 4-O-(1-methylcyclohexyl) 2,3-dimethylbutanedioate?
The InChIKey is SYMOSJIHRSOKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-10(12(15)17-4)11(2)13(16)18-14(3)8-6-5-7-9-14/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-O-methyl 4-O-(1-methylcyclohexyl) 2,3-dimethylbutanedioate?
1-O-methyl 4-O-(1-methylcyclohexyl) 2,3-dimethylbutanedioate has a molecular weight of 256.34 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-methyl 4-O-(1-methylcyclohexyl) 2,3-dimethylbutanedioate is sourced from PubChem (CID 18731139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).