dimethyl 2-propylpentanedioate

C10H18O4 — CID 543504

IUPACdimethyl 2-propylpentanedioate
SMILESCCCC(CCC(=O)OC)C(=O)OC
InChIInChI=1S/C10H18O4/c1-4-5-8(10(12)14-3)6-7-9(11)13-2/h8H,4-7H2,1-3H3
InChIKeyPUXYECYTXXMEPX-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.53
Rot. Bonds6

About dimethyl 2-propylpentanedioate

dimethyl 2-propylpentanedioate (PubChem CID 543504) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is dimethyl 2-propylpentanedioate.

Molecular Properties

Compound Namedimethyl 2-propylpentanedioate
PubChem CID543504
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namedimethyl 2-propylpentanedioate
SMILESCCCC(CCC(=O)OC)C(=O)OC
InChIInChI=1S/C10H18O4/c1-4-5-8(10(12)14-3)6-7-9(11)13-2/h8H,4-7H2,1-3H3
InChIKeyPUXYECYTXXMEPX-UHFFFAOYSA-N
XLogP1.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-propylpentanedioate?
The IUPAC name of dimethyl 2-propylpentanedioate (CID 543504) is dimethyl 2-propylpentanedioate.
What is the SMILES notation for dimethyl 2-propylpentanedioate?
The canonical SMILES for dimethyl 2-propylpentanedioate is CCCC(CCC(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-propylpentanedioate?
The InChIKey is PUXYECYTXXMEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-4-5-8(10(12)14-3)6-7-9(11)13-2/h8H,4-7H2,1-3H3.
What are the key properties of dimethyl 2-propylpentanedioate?
dimethyl 2-propylpentanedioate has a molecular weight of 202.25 g/mol, XLogP of 1.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-propylpentanedioate is sourced from PubChem (CID 543504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).