dipropyl butanedioate

C10H18O4 — CID 13549

IUPACdipropyl butanedioate
SMILESCCCOC(=O)CCC(=O)OCCC
InChIInChI=1S/C10H18O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h3-8H2,1-2H3
InChIKeySZHZCPHKDJWHNG-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.67
Rot. Bonds7

About dipropyl butanedioate

dipropyl butanedioate (PubChem CID 13549) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is dipropyl butanedioate.

Molecular Properties

Compound Namedipropyl butanedioate
PubChem CID13549
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namedipropyl butanedioate
SMILESCCCOC(=O)CCC(=O)OCCC
InChIInChI=1S/C10H18O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h3-8H2,1-2H3
InChIKeySZHZCPHKDJWHNG-UHFFFAOYSA-N
XLogP1.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Dimethyl Succinate
CID 7820
Dibutyl succinate
CID 8830
Butyl butyrate
CID 7983
Diethyl Succinate
CID 31249
Monoethyl succinate
CID 70610
Diisopropyl succinate
CID 70213
Diisobutyl Succinate
CID 70214
Diisopentyl succinate
CID 69956
Butanedioic acid, 1-ethyl 4-methyl ester
CID 522068
Ethyl isopentyl succinate
CID 119794
Butanedioic acid, 1-butyl ester
CID 78829
Dipentyl succinate
CID 69528

Frequently Asked Questions

What is the IUPAC name of dipropyl butanedioate?
The IUPAC name of dipropyl butanedioate (CID 13549) is dipropyl butanedioate.
What is the SMILES notation for dipropyl butanedioate?
The canonical SMILES for dipropyl butanedioate is CCCOC(=O)CCC(=O)OCCC.
What is the InChIKey of dipropyl butanedioate?
The InChIKey is SZHZCPHKDJWHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h3-8H2,1-2H3.
What are the key properties of dipropyl butanedioate?
dipropyl butanedioate has a molecular weight of 202.25 g/mol, XLogP of 1.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl butanedioate is sourced from PubChem (CID 13549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).