methyl 1-(oxiran-2-yl)hex-5-en-2-yl carbonate

C10H16O4 — CID 12835954

IUPACmethyl 1-(oxiran-2-yl)hex-5-en-2-yl carbonate
SMILESC=CCCC(CC1CO1)OC(=O)OC
InChIInChI=1S/C10H16O4/c1-3-4-5-8(6-9-7-13-9)14-10(11)12-2/h3,8-9H,1,4-7H2,2H3
InChIKeyUMKPTDODUJRFFF-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.89
Rot. Bonds6

About methyl 1-(oxiran-2-yl)hex-5-en-2-yl carbonate

methyl 1-(oxiran-2-yl)hex-5-en-2-yl carbonate (PubChem CID 12835954) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is methyl 1-(oxiran-2-yl)hex-5-en-2-yl carbonate.

Molecular Properties

Compound Namemethyl 1-(oxiran-2-yl)hex-5-en-2-yl carbonate
PubChem CID12835954
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namemethyl 1-(oxiran-2-yl)hex-5-en-2-yl carbonate
SMILESC=CCCC(CC1CO1)OC(=O)OC
InChIInChI=1S/C10H16O4/c1-3-4-5-8(6-9-7-13-9)14-10(11)12-2/h3,8-9H,1,4-7H2,2H3
InChIKeyUMKPTDODUJRFFF-UHFFFAOYSA-N
XLogP1.89
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(oxiran-2-yl)hex-5-en-2-yl carbonate?
The IUPAC name of methyl 1-(oxiran-2-yl)hex-5-en-2-yl carbonate (CID 12835954) is methyl 1-(oxiran-2-yl)hex-5-en-2-yl carbonate.
What is the SMILES notation for methyl 1-(oxiran-2-yl)hex-5-en-2-yl carbonate?
The canonical SMILES for methyl 1-(oxiran-2-yl)hex-5-en-2-yl carbonate is C=CCCC(CC1CO1)OC(=O)OC.
What is the InChIKey of methyl 1-(oxiran-2-yl)hex-5-en-2-yl carbonate?
The InChIKey is UMKPTDODUJRFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-3-4-5-8(6-9-7-13-9)14-10(11)12-2/h3,8-9H,1,4-7H2,2H3.
What are the key properties of methyl 1-(oxiran-2-yl)hex-5-en-2-yl carbonate?
methyl 1-(oxiran-2-yl)hex-5-en-2-yl carbonate has a molecular weight of 200.23 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(oxiran-2-yl)hex-5-en-2-yl carbonate is sourced from PubChem (CID 12835954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).