[(4Z,7Z)-2,10-dimethylundeca-4,7-dien-2-yl] 2-methylpropyl carbonate

C18H32O3 — CID 135224843

IUPAC[(4Z,7Z)-2,10-dimethylundeca-4,7-dien-2-yl] 2-methylpropyl carbonate
SMILESCC(C)C/C=C\C/C=C\CC(C)(C)OC(=O)OCC(C)C
InChIInChI=1S/C18H32O3/c1-15(2)12-10-8-7-9-11-13-18(5,6)21-17(19)20-14-16(3)4/h8-11,15-16H,7,12-14H2,1-6H3/b10-8-,11-9-
InChIKeyXRIZDVGRRHKCGC-WGEIWTTOSA-N
MW296.45 g/mol
LogP5.51
Rot. Bonds9

About [(4Z,7Z)-2,10-dimethylundeca-4,7-dien-2-yl] 2-methylpropyl carbonate

[(4Z,7Z)-2,10-dimethylundeca-4,7-dien-2-yl] 2-methylpropyl carbonate (PubChem CID 135224843) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is [(4Z,7Z)-2,10-dimethylundeca-4,7-dien-2-yl] 2-methylpropyl carbonate.

Molecular Properties

Compound Name[(4Z,7Z)-2,10-dimethylundeca-4,7-dien-2-yl] 2-methylpropyl carbonate
PubChem CID135224843
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name[(4Z,7Z)-2,10-dimethylundeca-4,7-dien-2-yl] 2-methylpropyl carbonate
SMILESCC(C)C/C=C\C/C=C\CC(C)(C)OC(=O)OCC(C)C
InChIInChI=1S/C18H32O3/c1-15(2)12-10-8-7-9-11-13-18(5,6)21-17(19)20-14-16(3)4/h8-11,15-16H,7,12-14H2,1-6H3/b10-8-,11-9-
InChIKeyXRIZDVGRRHKCGC-WGEIWTTOSA-N
XLogP5.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.45
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4Z,7Z)-2,10-dimethylundeca-4,7-dien-2-yl] 2-methylpropyl carbonate?
The IUPAC name of [(4Z,7Z)-2,10-dimethylundeca-4,7-dien-2-yl] 2-methylpropyl carbonate (CID 135224843) is [(4Z,7Z)-2,10-dimethylundeca-4,7-dien-2-yl] 2-methylpropyl carbonate.
What is the SMILES notation for [(4Z,7Z)-2,10-dimethylundeca-4,7-dien-2-yl] 2-methylpropyl carbonate?
The canonical SMILES for [(4Z,7Z)-2,10-dimethylundeca-4,7-dien-2-yl] 2-methylpropyl carbonate is CC(C)C/C=C\C/C=C\CC(C)(C)OC(=O)OCC(C)C.
What is the InChIKey of [(4Z,7Z)-2,10-dimethylundeca-4,7-dien-2-yl] 2-methylpropyl carbonate?
The InChIKey is XRIZDVGRRHKCGC-WGEIWTTOSA-N. The full InChI is InChI=1S/C18H32O3/c1-15(2)12-10-8-7-9-11-13-18(5,6)21-17(19)20-14-16(3)4/h8-11,15-16H,7,12-14H2,1-6H3/b10-8-,11-9-.
What are the key properties of [(4Z,7Z)-2,10-dimethylundeca-4,7-dien-2-yl] 2-methylpropyl carbonate?
[(4Z,7Z)-2,10-dimethylundeca-4,7-dien-2-yl] 2-methylpropyl carbonate has a molecular weight of 296.45 g/mol, XLogP of 5.51, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z,7Z)-2,10-dimethylundeca-4,7-dien-2-yl] 2-methylpropyl carbonate is sourced from PubChem (CID 135224843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).