[(E)-but-2-enyl] propyl carbonate

C8H14O3 — CID 91692424

IUPAC[(E)-but-2-enyl] propyl carbonate
SMILESC/C=C/COC(=O)OCCC
InChIInChI=1S/C8H14O3/c1-3-5-7-11-8(9)10-6-4-2/h3,5H,4,6-7H2,1-2H3/b5-3+
InChIKeyBILVLOZGIFYROK-HWKANZROSA-N
MW158.20 g/mol
LogP2.13
Rot. Bonds4

About [(E)-but-2-enyl] propyl carbonate

[(E)-but-2-enyl] propyl carbonate (PubChem CID 91692424) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is [(E)-but-2-enyl] propyl carbonate.

Molecular Properties

Compound Name[(E)-but-2-enyl] propyl carbonate
PubChem CID91692424
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name[(E)-but-2-enyl] propyl carbonate
SMILESC/C=C/COC(=O)OCCC
InChIInChI=1S/C8H14O3/c1-3-5-7-11-8(9)10-6-4-2/h3,5H,4,6-7H2,1-2H3/b5-3+
InChIKeyBILVLOZGIFYROK-HWKANZROSA-N
XLogP2.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Carbonic acid, di-2-propen-1-yl ester
CID 84764
Allylethyl carbonate
CID 137020
Methyl 2-propen-1-yl carbonate
CID 534788
Diallyl Pyrocarbonate
CID 4384857
Allyl-t-butylcarbonate
CID 11194471
2-Butene-1,1-diyl diacetate
CID 5355874
(2E)-1,4-dimethoxybut-2-en-1-yl acetate
CID 91828201
But-2-ene-1,4-diyl dimethyl biscarbonate
CID 5354075
(E)-But-2-enyl ethyl carbonate
CID 10866458
Carbonic acid, allyl butyl ester
CID 6420251
(e)-Hex-2-en-1-yl ethyl carbonate
CID 10910023
Methyl 3-methylbut-2-en-1-yl carbonate
CID 13763989

Frequently Asked Questions

What is the IUPAC name of [(E)-but-2-enyl] propyl carbonate?
The IUPAC name of [(E)-but-2-enyl] propyl carbonate (CID 91692424) is [(E)-but-2-enyl] propyl carbonate.
What is the SMILES notation for [(E)-but-2-enyl] propyl carbonate?
The canonical SMILES for [(E)-but-2-enyl] propyl carbonate is C/C=C/COC(=O)OCCC.
What is the InChIKey of [(E)-but-2-enyl] propyl carbonate?
The InChIKey is BILVLOZGIFYROK-HWKANZROSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-5-7-11-8(9)10-6-4-2/h3,5H,4,6-7H2,1-2H3/b5-3+.
What are the key properties of [(E)-but-2-enyl] propyl carbonate?
[(E)-but-2-enyl] propyl carbonate has a molecular weight of 158.20 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enyl] propyl carbonate is sourced from PubChem (CID 91692424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).