butyl propyl carbonate

C8H16O3 — CID 6420720

IUPACbutyl propyl carbonate
SMILESCCCCOC(=O)OCCC
InChIInChI=1S/C8H16O3/c1-3-5-7-11-8(9)10-6-4-2/h3-7H2,1-2H3
InChIKeyVASVAWIFVXAQMI-UHFFFAOYSA-N
MW160.21 g/mol
LogP2.35
Rot. Bonds5

About butyl propyl carbonate

butyl propyl carbonate (PubChem CID 6420720) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is butyl propyl carbonate.

Molecular Properties

Compound Namebutyl propyl carbonate
PubChem CID6420720
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Namebutyl propyl carbonate
SMILESCCCCOC(=O)OCCC
InChIInChI=1S/C8H16O3/c1-3-5-7-11-8(9)10-6-4-2/h3-7H2,1-2H3
InChIKeyVASVAWIFVXAQMI-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 butyl propyl carbonate?
The IUPAC name of butyl propyl carbonate (CID 6420720) is butyl propyl carbonate.
What is the SMILES notation for butyl propyl carbonate?
The canonical SMILES for butyl propyl carbonate is CCCCOC(=O)OCCC.
What is the InChIKey of butyl propyl carbonate?
The InChIKey is VASVAWIFVXAQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-3-5-7-11-8(9)10-6-4-2/h3-7H2,1-2H3.
What are the key properties of butyl propyl carbonate?
butyl propyl 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 butyl propyl carbonate is sourced from PubChem (CID 6420720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).