1-O-methyl 4-O-(1-methylcyclopentyl) butanedioate

C11H18O4 — CID 177097528

IUPAC1-O-methyl 4-O-(1-methylcyclopentyl) butanedioate
SMILESCOC(=O)CCC(=O)OC1(C)CCCC1
InChIInChI=1S/C11H18O4/c1-11(7-3-4-8-11)15-10(13)6-5-9(12)14-2/h3-8H2,1-2H3
InChIKeyQWBGFGCXBBNUPK-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.82
Rot. Bonds4

About 1-O-methyl 4-O-(1-methylcyclopentyl) butanedioate

1-O-methyl 4-O-(1-methylcyclopentyl) butanedioate (PubChem CID 177097528) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-O-methyl 4-O-(1-methylcyclopentyl) butanedioate.

Molecular Properties

Compound Name1-O-methyl 4-O-(1-methylcyclopentyl) butanedioate
PubChem CID177097528
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name1-O-methyl 4-O-(1-methylcyclopentyl) butanedioate
SMILESCOC(=O)CCC(=O)OC1(C)CCCC1
InChIInChI=1S/C11H18O4/c1-11(7-3-4-8-11)15-10(13)6-5-9(12)14-2/h3-8H2,1-2H3
InChIKeyQWBGFGCXBBNUPK-UHFFFAOYSA-N
XLogP1.82
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-O-methyl 4-O-(1-methylcyclopentyl) butanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-methylcyclohexyl) 3-iodopropanoate
CID 134285867
3-(1-methylcyclopentyl)oxy-3-oxopropanoic acid
CID 170442705
methyl 4-[2-(1-methylcyclopentyl)ethylamino]-4-oxobutanoate
CID 23384179
3-[3-(1-methylcyclopentyl)oxy-3-oxopropyl]sulfanylpropanoic acid
CID 69279413
methyl (1-methylcycloheptyl) carbonate
CID 172553116
[3-(1-methylcyclohexyl)oxy-3-oxopropyl] 2-methylpropanoate
CID 147929814
2,2-difluoro-5-(1-methylcyclopentyl)oxy-5-oxopentanoate
CID 155650708
[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2-methoxyacetate
CID 58100469
bis(1-methylcyclohexyl) oxalate
CID 154101354
(1-methylcyclohexyl) N-[2-[(1-methylcyclohexyl)oxycarbonylamino]ethyl]carbamate
CID 59584170
tris(1-methylcyclohexyl) 2-hydroxypropane-1,2,3-tricarboxylate
CID 154107750
(1-methylcyclohexyl) acetate;propane
CID 143035856

Frequently Asked Questions

What is the IUPAC name of 1-O-methyl 4-O-(1-methylcyclopentyl) butanedioate?
The IUPAC name of 1-O-methyl 4-O-(1-methylcyclopentyl) butanedioate (CID 177097528) is 1-O-methyl 4-O-(1-methylcyclopentyl) butanedioate.
What is the SMILES notation for 1-O-methyl 4-O-(1-methylcyclopentyl) butanedioate?
The canonical SMILES for 1-O-methyl 4-O-(1-methylcyclopentyl) butanedioate is COC(=O)CCC(=O)OC1(C)CCCC1.
What is the InChIKey of 1-O-methyl 4-O-(1-methylcyclopentyl) butanedioate?
The InChIKey is QWBGFGCXBBNUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-11(7-3-4-8-11)15-10(13)6-5-9(12)14-2/h3-8H2,1-2H3.
What are the key properties of 1-O-methyl 4-O-(1-methylcyclopentyl) butanedioate?
1-O-methyl 4-O-(1-methylcyclopentyl) butanedioate has a molecular weight of 214.26 g/mol, XLogP of 1.82, 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-methylcyclopentyl) butanedioate is sourced from PubChem (CID 177097528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).