(2E,4E,6E,8E)-1,1-dimethoxy-2,7,11-trimethyldodeca-2,4,6,8,10-pentaene

C17H26O2 — CID 134839729

IUPAC(2E,4E,6E,8E)-1,1-dimethoxy-2,7,11-trimethyldodeca-2,4,6,8,10-pentaene
SMILESCOC(OC)/C(C)=C/C=C/C=C(C)/C=C/C=C(C)C
InChIInChI=1S/C17H26O2/c1-14(2)10-9-12-15(3)11-7-8-13-16(4)17(18-5)19-6/h7-13,17H,1-6H3/b8-7+,12-9+,15-11+,16-13+
InChIKeyNCNUVTNFIXMHCD-GZLFBLIZSA-N
MW262.39 g/mol
LogP4.58
Rot. Bonds7

About (2E,4E,6E,8E)-1,1-dimethoxy-2,7,11-trimethyldodeca-2,4,6,8,10-pentaene

(2E,4E,6E,8E)-1,1-dimethoxy-2,7,11-trimethyldodeca-2,4,6,8,10-pentaene (PubChem CID 134839729) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is (2E,4E,6E,8E)-1,1-dimethoxy-2,7,11-trimethyldodeca-2,4,6,8,10-pentaene.

Molecular Properties

Compound Name(2E,4E,6E,8E)-1,1-dimethoxy-2,7,11-trimethyldodeca-2,4,6,8,10-pentaene
PubChem CID134839729
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name(2E,4E,6E,8E)-1,1-dimethoxy-2,7,11-trimethyldodeca-2,4,6,8,10-pentaene
SMILESCOC(OC)/C(C)=C/C=C/C=C(C)/C=C/C=C(C)C
InChIInChI=1S/C17H26O2/c1-14(2)10-9-12-15(3)11-7-8-13-16(4)17(18-5)19-6/h7-13,17H,1-6H3/b8-7+,12-9+,15-11+,16-13+
InChIKeyNCNUVTNFIXMHCD-GZLFBLIZSA-N
XLogP4.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E,6E,8E)-1,1-dimethoxy-2,7,11-trimethyldodeca-2,4,6,8,10-pentaene with MolForge

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Related Compounds

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(3Z,5Z)-5-(dimethoxymethyl)-6-fluorohepta-1,3,5-triene
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Furfural acetal
CID 91748868
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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E)-1,1-dimethoxy-2,7,11-trimethyldodeca-2,4,6,8,10-pentaene?
The IUPAC name of (2E,4E,6E,8E)-1,1-dimethoxy-2,7,11-trimethyldodeca-2,4,6,8,10-pentaene (CID 134839729) is (2E,4E,6E,8E)-1,1-dimethoxy-2,7,11-trimethyldodeca-2,4,6,8,10-pentaene.
What is the SMILES notation for (2E,4E,6E,8E)-1,1-dimethoxy-2,7,11-trimethyldodeca-2,4,6,8,10-pentaene?
The canonical SMILES for (2E,4E,6E,8E)-1,1-dimethoxy-2,7,11-trimethyldodeca-2,4,6,8,10-pentaene is COC(OC)/C(C)=C/C=C/C=C(C)/C=C/C=C(C)C.
What is the InChIKey of (2E,4E,6E,8E)-1,1-dimethoxy-2,7,11-trimethyldodeca-2,4,6,8,10-pentaene?
The InChIKey is NCNUVTNFIXMHCD-GZLFBLIZSA-N. The full InChI is InChI=1S/C17H26O2/c1-14(2)10-9-12-15(3)11-7-8-13-16(4)17(18-5)19-6/h7-13,17H,1-6H3/b8-7+,12-9+,15-11+,16-13+.
What are the key properties of (2E,4E,6E,8E)-1,1-dimethoxy-2,7,11-trimethyldodeca-2,4,6,8,10-pentaene?
(2E,4E,6E,8E)-1,1-dimethoxy-2,7,11-trimethyldodeca-2,4,6,8,10-pentaene has a molecular weight of 262.39 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E)-1,1-dimethoxy-2,7,11-trimethyldodeca-2,4,6,8,10-pentaene is sourced from PubChem (CID 134839729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).