dimethyl 2,2-bis(2-cyclopentylethyl)propanedioate

C19H32O4 — CID 139692185

IUPACdimethyl 2,2-bis(2-cyclopentylethyl)propanedioate
SMILESCOC(=O)C(CCC1CCCC1)(CCC1CCCC1)C(=O)OC
InChIInChI=1S/C19H32O4/c1-22-17(20)19(18(21)23-2,13-11-15-7-3-4-8-15)14-12-16-9-5-6-10-16/h15-16H,3-14H2,1-2H3
InChIKeyUOWXFQSUMRZFBT-UHFFFAOYSA-N
MW324.46 g/mol
LogP4.26
Rot. Bonds8

About dimethyl 2,2-bis(2-cyclopentylethyl)propanedioate

dimethyl 2,2-bis(2-cyclopentylethyl)propanedioate (PubChem CID 139692185) has the molecular formula C19H32O4 and a molecular weight of 324.46 g/mol. Its IUPAC name is dimethyl 2,2-bis(2-cyclopentylethyl)propanedioate.

Molecular Properties

Compound Namedimethyl 2,2-bis(2-cyclopentylethyl)propanedioate
PubChem CID139692185
Molecular FormulaC19H32O4
Molecular Weight324.46 g/mol
Exact Mass324.23
IUPAC Namedimethyl 2,2-bis(2-cyclopentylethyl)propanedioate
SMILESCOC(=O)C(CCC1CCCC1)(CCC1CCCC1)C(=O)OC
InChIInChI=1S/C19H32O4/c1-22-17(20)19(18(21)23-2,13-11-15-7-3-4-8-15)14-12-16-9-5-6-10-16/h15-16H,3-14H2,1-2H3
InChIKeyUOWXFQSUMRZFBT-UHFFFAOYSA-N
XLogP4.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2,2-bis(2-cyclopentylethyl)propanedioate?
The IUPAC name of dimethyl 2,2-bis(2-cyclopentylethyl)propanedioate (CID 139692185) is dimethyl 2,2-bis(2-cyclopentylethyl)propanedioate.
What is the SMILES notation for dimethyl 2,2-bis(2-cyclopentylethyl)propanedioate?
The canonical SMILES for dimethyl 2,2-bis(2-cyclopentylethyl)propanedioate is COC(=O)C(CCC1CCCC1)(CCC1CCCC1)C(=O)OC.
What is the InChIKey of dimethyl 2,2-bis(2-cyclopentylethyl)propanedioate?
The InChIKey is UOWXFQSUMRZFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O4/c1-22-17(20)19(18(21)23-2,13-11-15-7-3-4-8-15)14-12-16-9-5-6-10-16/h15-16H,3-14H2,1-2H3.
What are the key properties of dimethyl 2,2-bis(2-cyclopentylethyl)propanedioate?
dimethyl 2,2-bis(2-cyclopentylethyl)propanedioate has a molecular weight of 324.46 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,2-bis(2-cyclopentylethyl)propanedioate is sourced from PubChem (CID 139692185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).