ethyl pentyl carbonate

C8H16O3 — CID 6421512

IUPACethyl pentyl carbonate
SMILESCCCCCOC(=O)OCC
InChIInChI=1S/C8H16O3/c1-3-5-6-7-11-8(9)10-4-2/h3-7H2,1-2H3
InChIKeyBQZQELQEOWCZLR-UHFFFAOYSA-N
MW160.21 g/mol
LogP2.35
Rot. Bonds5

About ethyl pentyl carbonate

ethyl pentyl carbonate (PubChem CID 6421512) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is ethyl pentyl carbonate.

Molecular Properties

Compound Nameethyl pentyl carbonate
PubChem CID6421512
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Nameethyl pentyl carbonate
SMILESCCCCCOC(=O)OCC
InChIInChI=1S/C8H16O3/c1-3-5-6-7-11-8(9)10-4-2/h3-7H2,1-2H3
InChIKeyBQZQELQEOWCZLR-UHFFFAOYSA-N
XLogP2.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl pentyl carbonate?
The IUPAC name of ethyl pentyl carbonate (CID 6421512) is ethyl pentyl carbonate.
What is the SMILES notation for ethyl pentyl carbonate?
The canonical SMILES for ethyl pentyl carbonate is CCCCCOC(=O)OCC.
What is the InChIKey of ethyl pentyl carbonate?
The InChIKey is BQZQELQEOWCZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-3-5-6-7-11-8(9)10-4-2/h3-7H2,1-2H3.
What are the key properties of ethyl pentyl carbonate?
ethyl pentyl carbonate has a molecular weight of 160.21 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl pentyl carbonate is sourced from PubChem (CID 6421512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).