bis(3-oxopentyl) carbonate

C11H18O5 — CID 174663018

IUPACbis(3-oxopentyl) carbonate
SMILESCCC(=O)CCOC(=O)OCCC(=O)CC
InChIInChI=1S/C11H18O5/c1-3-9(12)5-7-15-11(14)16-8-6-10(13)4-2/h3-8H2,1-2H3
InChIKeyQBULUKMKXBYJJC-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.88
Rot. Bonds8

About bis(3-oxopentyl) carbonate

bis(3-oxopentyl) carbonate (PubChem CID 174663018) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is bis(3-oxopentyl) carbonate.

Molecular Properties

Compound Namebis(3-oxopentyl) carbonate
PubChem CID174663018
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Namebis(3-oxopentyl) carbonate
SMILESCCC(=O)CCOC(=O)OCCC(=O)CC
InChIInChI=1S/C11H18O5/c1-3-9(12)5-7-15-11(14)16-8-6-10(13)4-2/h3-8H2,1-2H3
InChIKeyQBULUKMKXBYJJC-UHFFFAOYSA-N
XLogP1.88
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(3-oxopentyl) carbonate?
The IUPAC name of bis(3-oxopentyl) carbonate (CID 174663018) is bis(3-oxopentyl) carbonate.
What is the SMILES notation for bis(3-oxopentyl) carbonate?
The canonical SMILES for bis(3-oxopentyl) carbonate is CCC(=O)CCOC(=O)OCCC(=O)CC.
What is the InChIKey of bis(3-oxopentyl) carbonate?
The InChIKey is QBULUKMKXBYJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-3-9(12)5-7-15-11(14)16-8-6-10(13)4-2/h3-8H2,1-2H3.
What are the key properties of bis(3-oxopentyl) carbonate?
bis(3-oxopentyl) carbonate has a molecular weight of 230.26 g/mol, XLogP of 1.88, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-oxopentyl) carbonate is sourced from PubChem (CID 174663018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).