1-O-ethyl 5-O-propan-2-yl pentanedioate

C10H18O4 — CID 14196796

IUPAC1-O-ethyl 5-O-propan-2-yl pentanedioate
SMILESCCOC(=O)CCCC(=O)OC(C)C
InChIInChI=1S/C10H18O4/c1-4-13-9(11)6-5-7-10(12)14-8(2)3/h8H,4-7H2,1-3H3
InChIKeyWOMPFGVPMWJROX-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.67
Rot. Bonds6

About 1-O-ethyl 5-O-propan-2-yl pentanedioate

1-O-ethyl 5-O-propan-2-yl pentanedioate (PubChem CID 14196796) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-O-ethyl 5-O-propan-2-yl pentanedioate.

Molecular Properties

Compound Name1-O-ethyl 5-O-propan-2-yl pentanedioate
PubChem CID14196796
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name1-O-ethyl 5-O-propan-2-yl pentanedioate
SMILESCCOC(=O)CCCC(=O)OC(C)C
InChIInChI=1S/C10H18O4/c1-4-13-9(11)6-5-7-10(12)14-8(2)3/h8H,4-7H2,1-3H3
InChIKeyWOMPFGVPMWJROX-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-O-ethyl 5-O-propan-2-yl pentanedioate?
The IUPAC name of 1-O-ethyl 5-O-propan-2-yl pentanedioate (CID 14196796) is 1-O-ethyl 5-O-propan-2-yl pentanedioate.
What is the SMILES notation for 1-O-ethyl 5-O-propan-2-yl pentanedioate?
The canonical SMILES for 1-O-ethyl 5-O-propan-2-yl pentanedioate is CCOC(=O)CCCC(=O)OC(C)C.
What is the InChIKey of 1-O-ethyl 5-O-propan-2-yl pentanedioate?
The InChIKey is WOMPFGVPMWJROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-4-13-9(11)6-5-7-10(12)14-8(2)3/h8H,4-7H2,1-3H3.
What are the key properties of 1-O-ethyl 5-O-propan-2-yl pentanedioate?
1-O-ethyl 5-O-propan-2-yl pentanedioate has a molecular weight of 202.25 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-ethyl 5-O-propan-2-yl pentanedioate is sourced from PubChem (CID 14196796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).