dimethyl 3-(2-methylpropyl)pentanedioate

C11H20O4 — CID 15152901

IUPACdimethyl 3-(2-methylpropyl)pentanedioate
SMILESCOC(=O)CC(CC(=O)OC)CC(C)C
InChIInChI=1S/C11H20O4/c1-8(2)5-9(6-10(12)14-3)7-11(13)15-4/h8-9H,5-7H2,1-4H3
InChIKeyODBRTAKEAMTPKE-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.77
Rot. Bonds6

About dimethyl 3-(2-methylpropyl)pentanedioate

dimethyl 3-(2-methylpropyl)pentanedioate (PubChem CID 15152901) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is dimethyl 3-(2-methylpropyl)pentanedioate.

Molecular Properties

Compound Namedimethyl 3-(2-methylpropyl)pentanedioate
PubChem CID15152901
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Namedimethyl 3-(2-methylpropyl)pentanedioate
SMILESCOC(=O)CC(CC(=O)OC)CC(C)C
InChIInChI=1S/C11H20O4/c1-8(2)5-9(6-10(12)14-3)7-11(13)15-4/h8-9H,5-7H2,1-4H3
InChIKeyODBRTAKEAMTPKE-UHFFFAOYSA-N
XLogP1.77
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dimethyl 3-(2-methylpropyl)pentanedioate?
The IUPAC name of dimethyl 3-(2-methylpropyl)pentanedioate (CID 15152901) is dimethyl 3-(2-methylpropyl)pentanedioate.
What is the SMILES notation for dimethyl 3-(2-methylpropyl)pentanedioate?
The canonical SMILES for dimethyl 3-(2-methylpropyl)pentanedioate is COC(=O)CC(CC(=O)OC)CC(C)C.
What is the InChIKey of dimethyl 3-(2-methylpropyl)pentanedioate?
The InChIKey is ODBRTAKEAMTPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-8(2)5-9(6-10(12)14-3)7-11(13)15-4/h8-9H,5-7H2,1-4H3.
What are the key properties of dimethyl 3-(2-methylpropyl)pentanedioate?
dimethyl 3-(2-methylpropyl)pentanedioate has a molecular weight of 216.28 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-(2-methylpropyl)pentanedioate is sourced from PubChem (CID 15152901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).