[(2Z,5Z)-7-methyldeca-2,5-dienyl] propan-2-yl carbonate

C15H26O3 — CID 88928640

IUPAC[(2Z,5Z)-7-methyldeca-2,5-dienyl] propan-2-yl carbonate
SMILESCCCC(C)/C=C\C/C=C\COC(=O)OC(C)C
InChIInChI=1S/C15H26O3/c1-5-10-14(4)11-8-6-7-9-12-17-15(16)18-13(2)3/h7-9,11,13-14H,5-6,10,12H2,1-4H3/b9-7-,11-8-
InChIKeyRZQSMXYQYNHKML-JLUCNAMBSA-N
MW254.37 g/mol
LogP4.49
Rot. Bonds8

About [(2Z,5Z)-7-methyldeca-2,5-dienyl] propan-2-yl carbonate

[(2Z,5Z)-7-methyldeca-2,5-dienyl] propan-2-yl carbonate (PubChem CID 88928640) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is [(2Z,5Z)-7-methyldeca-2,5-dienyl] propan-2-yl carbonate.

Molecular Properties

Compound Name[(2Z,5Z)-7-methyldeca-2,5-dienyl] propan-2-yl carbonate
PubChem CID88928640
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name[(2Z,5Z)-7-methyldeca-2,5-dienyl] propan-2-yl carbonate
SMILESCCCC(C)/C=C\C/C=C\COC(=O)OC(C)C
InChIInChI=1S/C15H26O3/c1-5-10-14(4)11-8-6-7-9-12-17-15(16)18-13(2)3/h7-9,11,13-14H,5-6,10,12H2,1-4H3/b9-7-,11-8-
InChIKeyRZQSMXYQYNHKML-JLUCNAMBSA-N
XLogP4.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.49
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 [(2Z,5Z)-7-methyldeca-2,5-dienyl] propan-2-yl carbonate?
The IUPAC name of [(2Z,5Z)-7-methyldeca-2,5-dienyl] propan-2-yl carbonate (CID 88928640) is [(2Z,5Z)-7-methyldeca-2,5-dienyl] propan-2-yl carbonate.
What is the SMILES notation for [(2Z,5Z)-7-methyldeca-2,5-dienyl] propan-2-yl carbonate?
The canonical SMILES for [(2Z,5Z)-7-methyldeca-2,5-dienyl] propan-2-yl carbonate is CCCC(C)/C=C\C/C=C\COC(=O)OC(C)C.
What is the InChIKey of [(2Z,5Z)-7-methyldeca-2,5-dienyl] propan-2-yl carbonate?
The InChIKey is RZQSMXYQYNHKML-JLUCNAMBSA-N. The full InChI is InChI=1S/C15H26O3/c1-5-10-14(4)11-8-6-7-9-12-17-15(16)18-13(2)3/h7-9,11,13-14H,5-6,10,12H2,1-4H3/b9-7-,11-8-.
What are the key properties of [(2Z,5Z)-7-methyldeca-2,5-dienyl] propan-2-yl carbonate?
[(2Z,5Z)-7-methyldeca-2,5-dienyl] propan-2-yl carbonate has a molecular weight of 254.37 g/mol, XLogP of 4.49, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,5Z)-7-methyldeca-2,5-dienyl] propan-2-yl carbonate is sourced from PubChem (CID 88928640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).