[(E)-8-(3,3-dimethyloxiran-2-yl)-6-methyloct-5-en-2-yl] 2-methylpropyl carbonate

C18H32O4 — CID 15677785

IUPAC[(E)-8-(3,3-dimethyloxiran-2-yl)-6-methyloct-5-en-2-yl] 2-methylpropyl carbonate
SMILESC/C(=C\CCC(C)OC(=O)OCC(C)C)CCC1OC1(C)C
InChIInChI=1S/C18H32O4/c1-13(2)12-20-17(19)21-15(4)9-7-8-14(3)10-11-16-18(5,6)22-16/h8,13,15-16H,7,9-12H2,1-6H3/b14-8+
InChIKeyORKHGKDJTGNFSW-RIYZIHGNSA-N
MW312.45 g/mol
LogP4.87
Rot. Bonds9

About [(E)-8-(3,3-dimethyloxiran-2-yl)-6-methyloct-5-en-2-yl] 2-methylpropyl carbonate

[(E)-8-(3,3-dimethyloxiran-2-yl)-6-methyloct-5-en-2-yl] 2-methylpropyl carbonate (PubChem CID 15677785) has the molecular formula C18H32O4 and a molecular weight of 312.45 g/mol. Its IUPAC name is [(E)-8-(3,3-dimethyloxiran-2-yl)-6-methyloct-5-en-2-yl] 2-methylpropyl carbonate.

Molecular Properties

Compound Name[(E)-8-(3,3-dimethyloxiran-2-yl)-6-methyloct-5-en-2-yl] 2-methylpropyl carbonate
PubChem CID15677785
Molecular FormulaC18H32O4
Molecular Weight312.45 g/mol
Exact Mass312.23
IUPAC Name[(E)-8-(3,3-dimethyloxiran-2-yl)-6-methyloct-5-en-2-yl] 2-methylpropyl carbonate
SMILESC/C(=C\CCC(C)OC(=O)OCC(C)C)CCC1OC1(C)C
InChIInChI=1S/C18H32O4/c1-13(2)12-20-17(19)21-15(4)9-7-8-14(3)10-11-16-18(5,6)22-16/h8,13,15-16H,7,9-12H2,1-6H3/b14-8+
InChIKeyORKHGKDJTGNFSW-RIYZIHGNSA-N
XLogP4.87
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 54.87
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'}

Analyze [(E)-8-(3,3-dimethyloxiran-2-yl)-6-methyloct-5-en-2-yl] 2-methylpropyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(E)-8-(3,3-dimethyloxiran-2-yl)-6-methyloct-5-en-2-yl] 2-methylpropyl carbonate?
The IUPAC name of [(E)-8-(3,3-dimethyloxiran-2-yl)-6-methyloct-5-en-2-yl] 2-methylpropyl carbonate (CID 15677785) is [(E)-8-(3,3-dimethyloxiran-2-yl)-6-methyloct-5-en-2-yl] 2-methylpropyl carbonate.
What is the SMILES notation for [(E)-8-(3,3-dimethyloxiran-2-yl)-6-methyloct-5-en-2-yl] 2-methylpropyl carbonate?
The canonical SMILES for [(E)-8-(3,3-dimethyloxiran-2-yl)-6-methyloct-5-en-2-yl] 2-methylpropyl carbonate is C/C(=C\CCC(C)OC(=O)OCC(C)C)CCC1OC1(C)C.
What is the InChIKey of [(E)-8-(3,3-dimethyloxiran-2-yl)-6-methyloct-5-en-2-yl] 2-methylpropyl carbonate?
The InChIKey is ORKHGKDJTGNFSW-RIYZIHGNSA-N. The full InChI is InChI=1S/C18H32O4/c1-13(2)12-20-17(19)21-15(4)9-7-8-14(3)10-11-16-18(5,6)22-16/h8,13,15-16H,7,9-12H2,1-6H3/b14-8+.
What are the key properties of [(E)-8-(3,3-dimethyloxiran-2-yl)-6-methyloct-5-en-2-yl] 2-methylpropyl carbonate?
[(E)-8-(3,3-dimethyloxiran-2-yl)-6-methyloct-5-en-2-yl] 2-methylpropyl carbonate has a molecular weight of 312.45 g/mol, XLogP of 4.87, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-8-(3,3-dimethyloxiran-2-yl)-6-methyloct-5-en-2-yl] 2-methylpropyl carbonate is sourced from PubChem (CID 15677785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).