[(2Z,6E,10E)-10-[(4S,5R)-4-hydroxy-5-(2-methylprop-1-enyl)-2-oxooxolan-3-ylidene]-3,7-dimethyldeca-2,6-dienyl] (E)-3-methylpent-2-enoate

C26H38O5 — CID 162912204

IUPAC[(2Z,6E,10E)-10-[(4S,5R)-4-hydroxy-5-(2-methylprop-1-enyl)-2-oxooxolan-3-ylidene]-3,7-dimethyldeca-2,6-dienyl] (E)-3-methylpent-2-enoate
SMILESCC/C(C)=C/C(=O)OC/C=C(/C)CC/C=C(\C)CC/C=C1/C(=O)O[C@H](C=C(C)C)[C@H]1O
InChIInChI=1S/C26H38O5/c1-7-19(4)17-24(27)30-15-14-21(6)11-8-10-20(5)12-9-13-22-25(28)23(16-18(2)3)31-26(22)29/h10,13-14,16-17,23,25,28H,7-9,11-12,15H2,1-6H3/b19-17+,20-10+,21-14-,22-13+/t23-,25+/m1/s1
InChIKeyFMSCSIZLBXXAAZ-AUMGLZQWSA-N
MW430.59 g/mol
LogP5.52
Rot. Bonds11

About [(2Z,6E,10E)-10-[(4S,5R)-4-hydroxy-5-(2-methylprop-1-enyl)-2-oxooxolan-3-ylidene]-3,7-dimethyldeca-2,6-dienyl] (E)-3-methylpent-2-enoate

[(2Z,6E,10E)-10-[(4S,5R)-4-hydroxy-5-(2-methylprop-1-enyl)-2-oxooxolan-3-ylidene]-3,7-dimethyldeca-2,6-dienyl] (E)-3-methylpent-2-enoate (PubChem CID 162912204) has the molecular formula C26H38O5 and a molecular weight of 430.59 g/mol. Its IUPAC name is [(2Z,6E,10E)-10-[(4S,5R)-4-hydroxy-5-(2-methylprop-1-enyl)-2-oxooxolan-3-ylidene]-3,7-dimethyldeca-2,6-dienyl] (E)-3-methylpent-2-enoate.

Molecular Properties

Compound Name[(2Z,6E,10E)-10-[(4S,5R)-4-hydroxy-5-(2-methylprop-1-enyl)-2-oxooxolan-3-ylidene]-3,7-dimethyldeca-2,6-dienyl] (E)-3-methylpent-2-enoate
PubChem CID162912204
Molecular FormulaC26H38O5
Molecular Weight430.59 g/mol
Exact Mass430.27
IUPAC Name[(2Z,6E,10E)-10-[(4S,5R)-4-hydroxy-5-(2-methylprop-1-enyl)-2-oxooxolan-3-ylidene]-3,7-dimethyldeca-2,6-dienyl] (E)-3-methylpent-2-enoate
SMILESCC/C(C)=C/C(=O)OC/C=C(/C)CC/C=C(\C)CC/C=C1/C(=O)O[C@H](C=C(C)C)[C@H]1O
InChIInChI=1S/C26H38O5/c1-7-19(4)17-24(27)30-15-14-21(6)11-8-10-20(5)12-9-13-22-25(28)23(16-18(2)3)31-26(22)29/h10,13-14,16-17,23,25,28H,7-9,11-12,15H2,1-6H3/b19-17+,20-10+,21-14-,22-13+/t23-,25+/m1/s1
InChIKeyFMSCSIZLBXXAAZ-AUMGLZQWSA-N
XLogP5.52
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.59
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [(2Z,6E,10E)-10-[(4S,5R)-4-hydroxy-5-(2-methylprop-1-enyl)-2-oxooxolan-3-ylidene]-3,7-dimethyldeca-2,6-dienyl] (E)-3-methylpent-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2Z,6E,10E)-10-[(4S,5R)-4-hydroxy-5-(2-methylprop-1-enyl)-2-oxooxolan-3-ylidene]-3,7-dimethyldeca-2,6-dienyl] (E)-3-methylpent-2-enoate?
The IUPAC name of [(2Z,6E,10E)-10-[(4S,5R)-4-hydroxy-5-(2-methylprop-1-enyl)-2-oxooxolan-3-ylidene]-3,7-dimethyldeca-2,6-dienyl] (E)-3-methylpent-2-enoate (CID 162912204) is [(2Z,6E,10E)-10-[(4S,5R)-4-hydroxy-5-(2-methylprop-1-enyl)-2-oxooxolan-3-ylidene]-3,7-dimethyldeca-2,6-dienyl] (E)-3-methylpent-2-enoate.
What is the SMILES notation for [(2Z,6E,10E)-10-[(4S,5R)-4-hydroxy-5-(2-methylprop-1-enyl)-2-oxooxolan-3-ylidene]-3,7-dimethyldeca-2,6-dienyl] (E)-3-methylpent-2-enoate?
The canonical SMILES for [(2Z,6E,10E)-10-[(4S,5R)-4-hydroxy-5-(2-methylprop-1-enyl)-2-oxooxolan-3-ylidene]-3,7-dimethyldeca-2,6-dienyl] (E)-3-methylpent-2-enoate is CC/C(C)=C/C(=O)OC/C=C(/C)CC/C=C(\C)CC/C=C1/C(=O)O[C@H](C=C(C)C)[C@H]1O.
What is the InChIKey of [(2Z,6E,10E)-10-[(4S,5R)-4-hydroxy-5-(2-methylprop-1-enyl)-2-oxooxolan-3-ylidene]-3,7-dimethyldeca-2,6-dienyl] (E)-3-methylpent-2-enoate?
The InChIKey is FMSCSIZLBXXAAZ-AUMGLZQWSA-N. The full InChI is InChI=1S/C26H38O5/c1-7-19(4)17-24(27)30-15-14-21(6)11-8-10-20(5)12-9-13-22-25(28)23(16-18(2)3)31-26(22)29/h10,13-14,16-17,23,25,28H,7-9,11-12,15H2,1-6H3/b19-17+,20-10+,21-14-,22-13+/t23-,25+/m1/s1.
What are the key properties of [(2Z,6E,10E)-10-[(4S,5R)-4-hydroxy-5-(2-methylprop-1-enyl)-2-oxooxolan-3-ylidene]-3,7-dimethyldeca-2,6-dienyl] (E)-3-methylpent-2-enoate?
[(2Z,6E,10E)-10-[(4S,5R)-4-hydroxy-5-(2-methylprop-1-enyl)-2-oxooxolan-3-ylidene]-3,7-dimethyldeca-2,6-dienyl] (E)-3-methylpent-2-enoate has a molecular weight of 430.59 g/mol, XLogP of 5.52, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,6E,10E)-10-[(4S,5R)-4-hydroxy-5-(2-methylprop-1-enyl)-2-oxooxolan-3-ylidene]-3,7-dimethyldeca-2,6-dienyl] (E)-3-methylpent-2-enoate is sourced from PubChem (CID 162912204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).