(3Z,5E)-5-[2-[(3E,5Z)-8,8-dimethyl-7-methylidenenona-1,3,5-trien-4-yl]oxypropan-2-yl]-2-methylocta-1,3,5,7-tetraene

C24H34O — CID 130245643

IUPAC(3Z,5E)-5-[2-[(3E,5Z)-8,8-dimethyl-7-methylidenenona-1,3,5-trien-4-yl]oxypropan-2-yl]-2-methylocta-1,3,5,7-tetraene
SMILESC=C/C=C(\C=C/C(=C)C(C)(C)C)OC(C)(C)C(/C=C\C(=C)C)=C/C=C
InChIInChI=1S/C24H34O/c1-11-13-21(17-15-19(3)4)24(9,10)25-22(14-12-2)18-16-20(5)23(6,7)8/h11-18H,1-3,5H2,4,6-10H3/b17-15-,18-16-,21-13+,22-14+
InChIKeyXCHZOGSGJCWURV-FNNPCALUSA-N
MW338.54 g/mol
LogP7.25
Rot. Bonds9

About (3Z,5E)-5-[2-[(3E,5Z)-8,8-dimethyl-7-methylidenenona-1,3,5-trien-4-yl]oxypropan-2-yl]-2-methylocta-1,3,5,7-tetraene

(3Z,5E)-5-[2-[(3E,5Z)-8,8-dimethyl-7-methylidenenona-1,3,5-trien-4-yl]oxypropan-2-yl]-2-methylocta-1,3,5,7-tetraene (PubChem CID 130245643) has the molecular formula C24H34O and a molecular weight of 338.54 g/mol. Its IUPAC name is (3Z,5E)-5-[2-[(3E,5Z)-8,8-dimethyl-7-methylidenenona-1,3,5-trien-4-yl]oxypropan-2-yl]-2-methylocta-1,3,5,7-tetraene.

Molecular Properties

Compound Name(3Z,5E)-5-[2-[(3E,5Z)-8,8-dimethyl-7-methylidenenona-1,3,5-trien-4-yl]oxypropan-2-yl]-2-methylocta-1,3,5,7-tetraene
PubChem CID130245643
Molecular FormulaC24H34O
Molecular Weight338.54 g/mol
Exact Mass338.26
IUPAC Name(3Z,5E)-5-[2-[(3E,5Z)-8,8-dimethyl-7-methylidenenona-1,3,5-trien-4-yl]oxypropan-2-yl]-2-methylocta-1,3,5,7-tetraene
SMILESC=C/C=C(\C=C/C(=C)C(C)(C)C)OC(C)(C)C(/C=C\C(=C)C)=C/C=C
InChIInChI=1S/C24H34O/c1-11-13-21(17-15-19(3)4)24(9,10)25-22(14-12-2)18-16-20(5)23(6,7)8/h11-18H,1-3,5H2,4,6-10H3/b17-15-,18-16-,21-13+,22-14+
InChIKeyXCHZOGSGJCWURV-FNNPCALUSA-N
XLogP7.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.54
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-[2-[(3E,5Z)-8,8-dimethyl-7-methylidenenona-1,3,5-trien-4-yl]oxypropan-2-yl]-2-methylocta-1,3,5,7-tetraene?
The IUPAC name of (3Z,5E)-5-[2-[(3E,5Z)-8,8-dimethyl-7-methylidenenona-1,3,5-trien-4-yl]oxypropan-2-yl]-2-methylocta-1,3,5,7-tetraene (CID 130245643) is (3Z,5E)-5-[2-[(3E,5Z)-8,8-dimethyl-7-methylidenenona-1,3,5-trien-4-yl]oxypropan-2-yl]-2-methylocta-1,3,5,7-tetraene.
What is the SMILES notation for (3Z,5E)-5-[2-[(3E,5Z)-8,8-dimethyl-7-methylidenenona-1,3,5-trien-4-yl]oxypropan-2-yl]-2-methylocta-1,3,5,7-tetraene?
The canonical SMILES for (3Z,5E)-5-[2-[(3E,5Z)-8,8-dimethyl-7-methylidenenona-1,3,5-trien-4-yl]oxypropan-2-yl]-2-methylocta-1,3,5,7-tetraene is C=C/C=C(\C=C/C(=C)C(C)(C)C)OC(C)(C)C(/C=C\C(=C)C)=C/C=C.
What is the InChIKey of (3Z,5E)-5-[2-[(3E,5Z)-8,8-dimethyl-7-methylidenenona-1,3,5-trien-4-yl]oxypropan-2-yl]-2-methylocta-1,3,5,7-tetraene?
The InChIKey is XCHZOGSGJCWURV-FNNPCALUSA-N. The full InChI is InChI=1S/C24H34O/c1-11-13-21(17-15-19(3)4)24(9,10)25-22(14-12-2)18-16-20(5)23(6,7)8/h11-18H,1-3,5H2,4,6-10H3/b17-15-,18-16-,21-13+,22-14+.
What are the key properties of (3Z,5E)-5-[2-[(3E,5Z)-8,8-dimethyl-7-methylidenenona-1,3,5-trien-4-yl]oxypropan-2-yl]-2-methylocta-1,3,5,7-tetraene?
(3Z,5E)-5-[2-[(3E,5Z)-8,8-dimethyl-7-methylidenenona-1,3,5-trien-4-yl]oxypropan-2-yl]-2-methylocta-1,3,5,7-tetraene has a molecular weight of 338.54 g/mol, XLogP of 7.25, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-[2-[(3E,5Z)-8,8-dimethyl-7-methylidenenona-1,3,5-trien-4-yl]oxypropan-2-yl]-2-methylocta-1,3,5,7-tetraene is sourced from PubChem (CID 130245643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).