[(E)-3-(3-methylpentoxy)pent-2-enyl] propyl carbonate

C15H28O4 — CID 173484557

IUPAC[(E)-3-(3-methylpentoxy)pent-2-enyl] propyl carbonate
SMILESCCCOC(=O)OC/C=C(\CC)OCCC(C)CC
InChIInChI=1S/C15H28O4/c1-5-10-18-15(16)19-12-9-14(7-3)17-11-8-13(4)6-2/h9,13H,5-8,10-12H2,1-4H3/b14-9+
InChIKeySCXACQFTSHZNTM-NTEUORMPSA-N
MW272.38 g/mol
LogP4.30
Rot. Bonds10

About [(E)-3-(3-methylpentoxy)pent-2-enyl] propyl carbonate

[(E)-3-(3-methylpentoxy)pent-2-enyl] propyl carbonate (PubChem CID 173484557) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is [(E)-3-(3-methylpentoxy)pent-2-enyl] propyl carbonate.

Molecular Properties

Compound Name[(E)-3-(3-methylpentoxy)pent-2-enyl] propyl carbonate
PubChem CID173484557
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name[(E)-3-(3-methylpentoxy)pent-2-enyl] propyl carbonate
SMILESCCCOC(=O)OC/C=C(\CC)OCCC(C)CC
InChIInChI=1S/C15H28O4/c1-5-10-18-15(16)19-12-9-14(7-3)17-11-8-13(4)6-2/h9,13H,5-8,10-12H2,1-4H3/b14-9+
InChIKeySCXACQFTSHZNTM-NTEUORMPSA-N
XLogP4.30
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-(3-methylpentoxy)pent-2-enyl] propyl carbonate?
The IUPAC name of [(E)-3-(3-methylpentoxy)pent-2-enyl] propyl carbonate (CID 173484557) is [(E)-3-(3-methylpentoxy)pent-2-enyl] propyl carbonate.
What is the SMILES notation for [(E)-3-(3-methylpentoxy)pent-2-enyl] propyl carbonate?
The canonical SMILES for [(E)-3-(3-methylpentoxy)pent-2-enyl] propyl carbonate is CCCOC(=O)OC/C=C(\CC)OCCC(C)CC.
What is the InChIKey of [(E)-3-(3-methylpentoxy)pent-2-enyl] propyl carbonate?
The InChIKey is SCXACQFTSHZNTM-NTEUORMPSA-N. The full InChI is InChI=1S/C15H28O4/c1-5-10-18-15(16)19-12-9-14(7-3)17-11-8-13(4)6-2/h9,13H,5-8,10-12H2,1-4H3/b14-9+.
What are the key properties of [(E)-3-(3-methylpentoxy)pent-2-enyl] propyl carbonate?
[(E)-3-(3-methylpentoxy)pent-2-enyl] propyl carbonate has a molecular weight of 272.38 g/mol, XLogP of 4.30, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(3-methylpentoxy)pent-2-enyl] propyl carbonate is sourced from PubChem (CID 173484557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).