dimethyl 1-methyl-3-propan-2-ylcyclopentane-1,3-dicarboxylate

C13H22O4 — CID 91799029

IUPACdimethyl 1-methyl-3-propan-2-ylcyclopentane-1,3-dicarboxylate
SMILESCOC(=O)C1(C)CCC(C(=O)OC)(C(C)C)C1
InChIInChI=1S/C13H22O4/c1-9(2)13(11(15)17-5)7-6-12(3,8-13)10(14)16-4/h9H,6-8H2,1-5H3
InChIKeyDZSWKBZPPVWXQL-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.16
Rot. Bonds3

About dimethyl 1-methyl-3-propan-2-ylcyclopentane-1,3-dicarboxylate

dimethyl 1-methyl-3-propan-2-ylcyclopentane-1,3-dicarboxylate (PubChem CID 91799029) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is dimethyl 1-methyl-3-propan-2-ylcyclopentane-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-methyl-3-propan-2-ylcyclopentane-1,3-dicarboxylate
PubChem CID91799029
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Namedimethyl 1-methyl-3-propan-2-ylcyclopentane-1,3-dicarboxylate
SMILESCOC(=O)C1(C)CCC(C(=O)OC)(C(C)C)C1
InChIInChI=1S/C13H22O4/c1-9(2)13(11(15)17-5)7-6-12(3,8-13)10(14)16-4/h9H,6-8H2,1-5H3
InChIKeyDZSWKBZPPVWXQL-UHFFFAOYSA-N
XLogP2.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 59734384
methyl 3-amino-1,3-dimethylcyclobutane-1-carboxylate
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CID 573215
methyl 1-(1-amino-3-methylbutyl)cyclopropane-1-carboxylate
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methyl 4-iodo-1-methylcyclohexane-1-carboxylate
CID 121364070
methyl 1-(1-aminoethyl)cyclobutane-1-carboxylate
CID 115012255
dimethyl 3-(2-methylpropyl)-5-propan-2-yloxane-3,5-dicarboxylate
CID 166663680
methyl 1-[3-methyl-1-(methylamino)butyl]cyclopropane-1-carboxylate
CID 116959146
methyl 1-(1-amino-2,2,2-trifluoroethyl)cyclopropane-1-carboxylate
CID 115020911
methyl 1-(difluoromethyl)cyclopentane-1-carboxylate
CID 130648445
(1-methylcyclopropanecarbonyl) 1-methylcyclopropane-1-carboxylate
CID 150043485
trans-methyl (1R,3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-3-methyl-1-propan-2-ylcyclopentane-1-carboxylate
CID 121455522

Frequently Asked Questions

What is the IUPAC name of dimethyl 1-methyl-3-propan-2-ylcyclopentane-1,3-dicarboxylate?
The IUPAC name of dimethyl 1-methyl-3-propan-2-ylcyclopentane-1,3-dicarboxylate (CID 91799029) is dimethyl 1-methyl-3-propan-2-ylcyclopentane-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 1-methyl-3-propan-2-ylcyclopentane-1,3-dicarboxylate?
The canonical SMILES for dimethyl 1-methyl-3-propan-2-ylcyclopentane-1,3-dicarboxylate is COC(=O)C1(C)CCC(C(=O)OC)(C(C)C)C1.
What is the InChIKey of dimethyl 1-methyl-3-propan-2-ylcyclopentane-1,3-dicarboxylate?
The InChIKey is DZSWKBZPPVWXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4/c1-9(2)13(11(15)17-5)7-6-12(3,8-13)10(14)16-4/h9H,6-8H2,1-5H3.
What are the key properties of dimethyl 1-methyl-3-propan-2-ylcyclopentane-1,3-dicarboxylate?
dimethyl 1-methyl-3-propan-2-ylcyclopentane-1,3-dicarboxylate has a molecular weight of 242.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-methyl-3-propan-2-ylcyclopentane-1,3-dicarboxylate is sourced from PubChem (CID 91799029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).