4-O-(2-methylcyclohexyl) 1-O-(2-methylpropyl) butanedioate

C15H26O4 — CID 91702025

IUPAC4-O-(2-methylcyclohexyl) 1-O-(2-methylpropyl) butanedioate
SMILESCC(C)COC(=O)CCC(=O)OC1CCCCC1C
InChIInChI=1S/C15H26O4/c1-11(2)10-18-14(16)8-9-15(17)19-13-7-5-4-6-12(13)3/h11-13H,4-10H2,1-3H3
InChIKeyFNUMUNIZIMRTOO-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.09
Rot. Bonds6

About 4-O-(2-methylcyclohexyl) 1-O-(2-methylpropyl) butanedioate

4-O-(2-methylcyclohexyl) 1-O-(2-methylpropyl) butanedioate (PubChem CID 91702025) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-O-(2-methylcyclohexyl) 1-O-(2-methylpropyl) butanedioate.

Molecular Properties

Compound Name4-O-(2-methylcyclohexyl) 1-O-(2-methylpropyl) butanedioate
PubChem CID91702025
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name4-O-(2-methylcyclohexyl) 1-O-(2-methylpropyl) butanedioate
SMILESCC(C)COC(=O)CCC(=O)OC1CCCCC1C
InChIInChI=1S/C15H26O4/c1-11(2)10-18-14(16)8-9-15(17)19-13-7-5-4-6-12(13)3/h11-13H,4-10H2,1-3H3
InChIKeyFNUMUNIZIMRTOO-UHFFFAOYSA-N
XLogP3.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methylcyclohexyl acetate
CID 98345
Acetic acid (+/-)-cis-2-methyl-cyclohexyl ester
CID 11355623
1-Cyclohexylethyl butyrate
CID 94608
4-(Cyclohexylmethoxy)-4-oxobutanoic acid
CID 879026
2-Methylcyclohexyl acetate, trans-(+-)-
CID 12705473
Cyclohexanol, 2-methyl-, acetate, cis-
CID 11228928
2-Methylcyclohexyl pentanoate
CID 228764
1,2-Cyclohexanedicarboxylic acid, diisopropyl ester
CID 14849275
Succinic acid, cyclohexylmethyl 1,1,1-trifluoroprop-2-yl ester
CID 91700761
Succinic acid, cyclohexylmethyl 2-fluoroethyl ester
CID 91700798
Succinic acid, 1,1,1-trifluoroprop-2-yl cis-4-methylcyclohexyl ester
CID 91732371
4-{[5-Methyl-2-(propan-2-yl)cyclohexyl]oxy}-4-oxobutanoate
CID 18676664

Frequently Asked Questions

What is the IUPAC name of 4-O-(2-methylcyclohexyl) 1-O-(2-methylpropyl) butanedioate?
The IUPAC name of 4-O-(2-methylcyclohexyl) 1-O-(2-methylpropyl) butanedioate (CID 91702025) is 4-O-(2-methylcyclohexyl) 1-O-(2-methylpropyl) butanedioate.
What is the SMILES notation for 4-O-(2-methylcyclohexyl) 1-O-(2-methylpropyl) butanedioate?
The canonical SMILES for 4-O-(2-methylcyclohexyl) 1-O-(2-methylpropyl) butanedioate is CC(C)COC(=O)CCC(=O)OC1CCCCC1C.
What is the InChIKey of 4-O-(2-methylcyclohexyl) 1-O-(2-methylpropyl) butanedioate?
The InChIKey is FNUMUNIZIMRTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-11(2)10-18-14(16)8-9-15(17)19-13-7-5-4-6-12(13)3/h11-13H,4-10H2,1-3H3.
What are the key properties of 4-O-(2-methylcyclohexyl) 1-O-(2-methylpropyl) butanedioate?
4-O-(2-methylcyclohexyl) 1-O-(2-methylpropyl) butanedioate has a molecular weight of 270.37 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-(2-methylcyclohexyl) 1-O-(2-methylpropyl) butanedioate is sourced from PubChem (CID 91702025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).