butyl methyl carbonate

C6H12O3 — CID 15688890

IUPACbutyl methyl carbonate
SMILESCCCCOC(=O)OC
InChIInChI=1S/C6H12O3/c1-3-4-5-9-6(7)8-2/h3-5H2,1-2H3
InChIKeyFWBMVXOCTXTBAD-UHFFFAOYSA-N
MW132.16 g/mol
LogP1.57
Rot. Bonds3

About butyl methyl carbonate

butyl methyl carbonate (PubChem CID 15688890) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is butyl methyl carbonate.

Molecular Properties

Compound Namebutyl methyl carbonate
PubChem CID15688890
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Namebutyl methyl carbonate
SMILESCCCCOC(=O)OC
InChIInChI=1S/C6H12O3/c1-3-4-5-9-6(7)8-2/h3-5H2,1-2H3
InChIKeyFWBMVXOCTXTBAD-UHFFFAOYSA-N
XLogP1.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 51.57
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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Related Compounds

Diethyl Carbonate
CID 7766
Diethyl Pyrocarbonate
CID 3051
Ethyl methyl carbonate
CID 522046
Dipropyl Carbonate
CID 69344
Dibutyl carbonate
CID 68333
Methyl Propyl carbonate
CID 10129937
Diisopropyl carbonate
CID 536818
Methyl isopropyl carbonate
CID 7021530
Carbonic acid, butyl ethyl ester
CID 61880
Dipentyl carbonate
CID 222266
Carbonic acid, butyl propyl ester
CID 6420720
Carbonic acid, ethyl propyl ester
CID 6420966

Frequently Asked Questions

What is the IUPAC name of butyl methyl carbonate?
The IUPAC name of butyl methyl carbonate (CID 15688890) is butyl methyl carbonate.
What is the SMILES notation for butyl methyl carbonate?
The canonical SMILES for butyl methyl carbonate is CCCCOC(=O)OC.
What is the InChIKey of butyl methyl carbonate?
The InChIKey is FWBMVXOCTXTBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-3-4-5-9-6(7)8-2/h3-5H2,1-2H3.
What are the key properties of butyl methyl carbonate?
butyl methyl carbonate has a molecular weight of 132.16 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl methyl carbonate is sourced from PubChem (CID 15688890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).