4-methoxycarbonyloxyhex-5-enyl methyl carbonate

C10H16O6 — CID 19009148

IUPAC4-methoxycarbonyloxyhex-5-enyl methyl carbonate
SMILESC=CC(CCCOC(=O)OC)OC(=O)OC
InChIInChI=1S/C10H16O6/c1-4-8(16-10(12)14-3)6-5-7-15-9(11)13-2/h4,8H,1,5-7H2,2-3H3
InChIKeyIRSALTPYDGMDNM-UHFFFAOYSA-N
MW232.23 g/mol
LogP1.89
Rot. Bonds6

About 4-methoxycarbonyloxyhex-5-enyl methyl carbonate

4-methoxycarbonyloxyhex-5-enyl methyl carbonate (PubChem CID 19009148) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is 4-methoxycarbonyloxyhex-5-enyl methyl carbonate.

Molecular Properties

Compound Name4-methoxycarbonyloxyhex-5-enyl methyl carbonate
PubChem CID19009148
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name4-methoxycarbonyloxyhex-5-enyl methyl carbonate
SMILESC=CC(CCCOC(=O)OC)OC(=O)OC
InChIInChI=1S/C10H16O6/c1-4-8(16-10(12)14-3)6-5-7-15-9(11)13-2/h4,8H,1,5-7H2,2-3H3
InChIKeyIRSALTPYDGMDNM-UHFFFAOYSA-N
XLogP1.89
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxycarbonyloxyhex-5-enyl methyl carbonate?
The IUPAC name of 4-methoxycarbonyloxyhex-5-enyl methyl carbonate (CID 19009148) is 4-methoxycarbonyloxyhex-5-enyl methyl carbonate.
What is the SMILES notation for 4-methoxycarbonyloxyhex-5-enyl methyl carbonate?
The canonical SMILES for 4-methoxycarbonyloxyhex-5-enyl methyl carbonate is C=CC(CCCOC(=O)OC)OC(=O)OC.
What is the InChIKey of 4-methoxycarbonyloxyhex-5-enyl methyl carbonate?
The InChIKey is IRSALTPYDGMDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O6/c1-4-8(16-10(12)14-3)6-5-7-15-9(11)13-2/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 4-methoxycarbonyloxyhex-5-enyl methyl carbonate?
4-methoxycarbonyloxyhex-5-enyl methyl carbonate has a molecular weight of 232.23 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxycarbonyloxyhex-5-enyl methyl carbonate is sourced from PubChem (CID 19009148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).