(3Z,5E,8E,10Z,12E)-2,12-dimethoxy-5,10-dimethyl-7,7-di(propan-2-yl)tetradeca-1,3,5,8,10,12-hexaene

C24H38O2 — CID 143493228

IUPAC(3Z,5E,8E,10Z,12E)-2,12-dimethoxy-5,10-dimethyl-7,7-di(propan-2-yl)tetradeca-1,3,5,8,10,12-hexaene
SMILESC=C(/C=C\C(C)=C\C(/C=C/C(C)=C\C(=C/C)OC)(C(C)C)C(C)C)OC
InChIInChI=1S/C24H38O2/c1-11-23(26-10)16-20(6)14-15-24(18(2)3,19(4)5)17-21(7)12-13-22(8)25-9/h11-19H,8H2,1-7,9-10H3/b13-12-,15-14+,20-16-,21-17+,23-11+
InChIKeyKCVOHUSSLNQHRP-LRASAXFHSA-N
MW358.57 g/mol
LogP7.00
Rot. Bonds10

About (3Z,5E,8E,10Z,12E)-2,12-dimethoxy-5,10-dimethyl-7,7-di(propan-2-yl)tetradeca-1,3,5,8,10,12-hexaene

(3Z,5E,8E,10Z,12E)-2,12-dimethoxy-5,10-dimethyl-7,7-di(propan-2-yl)tetradeca-1,3,5,8,10,12-hexaene (PubChem CID 143493228) has the molecular formula C24H38O2 and a molecular weight of 358.57 g/mol. Its IUPAC name is (3Z,5E,8E,10Z,12E)-2,12-dimethoxy-5,10-dimethyl-7,7-di(propan-2-yl)tetradeca-1,3,5,8,10,12-hexaene.

Molecular Properties

Compound Name(3Z,5E,8E,10Z,12E)-2,12-dimethoxy-5,10-dimethyl-7,7-di(propan-2-yl)tetradeca-1,3,5,8,10,12-hexaene
PubChem CID143493228
Molecular FormulaC24H38O2
Molecular Weight358.57 g/mol
Exact Mass358.29
IUPAC Name(3Z,5E,8E,10Z,12E)-2,12-dimethoxy-5,10-dimethyl-7,7-di(propan-2-yl)tetradeca-1,3,5,8,10,12-hexaene
SMILESC=C(/C=C\C(C)=C\C(/C=C/C(C)=C\C(=C/C)OC)(C(C)C)C(C)C)OC
InChIInChI=1S/C24H38O2/c1-11-23(26-10)16-20(6)14-15-24(18(2)3,19(4)5)17-21(7)12-13-22(8)25-9/h11-19H,8H2,1-7,9-10H3/b13-12-,15-14+,20-16-,21-17+,23-11+
InChIKeyKCVOHUSSLNQHRP-LRASAXFHSA-N
XLogP7.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z,5E,8E,10Z,12E)-2,12-dimethoxy-5,10-dimethyl-7,7-di(propan-2-yl)tetradeca-1,3,5,8,10,12-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E,8E,10Z,12E)-2,12-dimethoxy-5,10-dimethyl-7,7-di(propan-2-yl)tetradeca-1,3,5,8,10,12-hexaene?
The IUPAC name of (3Z,5E,8E,10Z,12E)-2,12-dimethoxy-5,10-dimethyl-7,7-di(propan-2-yl)tetradeca-1,3,5,8,10,12-hexaene (CID 143493228) is (3Z,5E,8E,10Z,12E)-2,12-dimethoxy-5,10-dimethyl-7,7-di(propan-2-yl)tetradeca-1,3,5,8,10,12-hexaene.
What is the SMILES notation for (3Z,5E,8E,10Z,12E)-2,12-dimethoxy-5,10-dimethyl-7,7-di(propan-2-yl)tetradeca-1,3,5,8,10,12-hexaene?
The canonical SMILES for (3Z,5E,8E,10Z,12E)-2,12-dimethoxy-5,10-dimethyl-7,7-di(propan-2-yl)tetradeca-1,3,5,8,10,12-hexaene is C=C(/C=C\C(C)=C\C(/C=C/C(C)=C\C(=C/C)OC)(C(C)C)C(C)C)OC.
What is the InChIKey of (3Z,5E,8E,10Z,12E)-2,12-dimethoxy-5,10-dimethyl-7,7-di(propan-2-yl)tetradeca-1,3,5,8,10,12-hexaene?
The InChIKey is KCVOHUSSLNQHRP-LRASAXFHSA-N. The full InChI is InChI=1S/C24H38O2/c1-11-23(26-10)16-20(6)14-15-24(18(2)3,19(4)5)17-21(7)12-13-22(8)25-9/h11-19H,8H2,1-7,9-10H3/b13-12-,15-14+,20-16-,21-17+,23-11+.
What are the key properties of (3Z,5E,8E,10Z,12E)-2,12-dimethoxy-5,10-dimethyl-7,7-di(propan-2-yl)tetradeca-1,3,5,8,10,12-hexaene?
(3Z,5E,8E,10Z,12E)-2,12-dimethoxy-5,10-dimethyl-7,7-di(propan-2-yl)tetradeca-1,3,5,8,10,12-hexaene has a molecular weight of 358.57 g/mol, XLogP of 7.00, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,8E,10Z,12E)-2,12-dimethoxy-5,10-dimethyl-7,7-di(propan-2-yl)tetradeca-1,3,5,8,10,12-hexaene is sourced from PubChem (CID 143493228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).