2-[(1Z,3Z)-4,8-dimethylnona-1,3,7-trienyl]-2,5,5-trimethyl-1,3-dioxane

C18H30O2 — CID 90239000

IUPAC2-[(1Z,3Z)-4,8-dimethylnona-1,3,7-trienyl]-2,5,5-trimethyl-1,3-dioxane
SMILESCC(C)=CCC/C(C)=C\C=C/C1(C)OCC(C)(C)CO1
InChIInChI=1S/C18H30O2/c1-15(2)9-7-10-16(3)11-8-12-18(6)19-13-17(4,5)14-20-18/h8-9,11-12H,7,10,13-14H2,1-6H3/b12-8-,16-11-
InChIKeyIQSVAAIMZOUEPW-FNWGKNFXSA-N
MW278.44 g/mol
LogP5.02
Rot. Bonds5

About 2-[(1Z,3Z)-4,8-dimethylnona-1,3,7-trienyl]-2,5,5-trimethyl-1,3-dioxane

2-[(1Z,3Z)-4,8-dimethylnona-1,3,7-trienyl]-2,5,5-trimethyl-1,3-dioxane (PubChem CID 90239000) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-[(1Z,3Z)-4,8-dimethylnona-1,3,7-trienyl]-2,5,5-trimethyl-1,3-dioxane.

Molecular Properties

Compound Name2-[(1Z,3Z)-4,8-dimethylnona-1,3,7-trienyl]-2,5,5-trimethyl-1,3-dioxane
PubChem CID90239000
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name2-[(1Z,3Z)-4,8-dimethylnona-1,3,7-trienyl]-2,5,5-trimethyl-1,3-dioxane
SMILESCC(C)=CCC/C(C)=C\C=C/C1(C)OCC(C)(C)CO1
InChIInChI=1S/C18H30O2/c1-15(2)9-7-10-16(3)11-8-12-18(6)19-13-17(4,5)14-20-18/h8-9,11-12H,7,10,13-14H2,1-6H3/b12-8-,16-11-
InChIKeyIQSVAAIMZOUEPW-FNWGKNFXSA-N
XLogP5.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1Z,3Z)-4,8-dimethylnona-1,3,7-trienyl]-2,5,5-trimethyl-1,3-dioxane with MolForge

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Related Compounds

2-(4,8-dimethylnona-1,3,7-trienyl)-2-methyl-1,3-dioxolane
CID 144649740
2,5,5-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-1,3-dioxane
CID 123618737
(3S)-3-[(3E,7E,11E,13E,15E,19E,23E)-3,7,11,16,20,24,28-heptamethylnonacosa-3,7,11,13,15,19,23,27-octaenyl]-2,2-dimethyloxirane
CID 163021444
2,6,10,14,18,23,27,31,35-nonamethylhexatriaconta-2,6,8,10,12,14,16,18,20,22,24,26,28,30,34-pentadecaene
CID 123174328
(6E,8E,10Z,12E,14Z,16E,18Z,20E,22Z,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
CID 21145326
2-[(3Z)-4,8-dimethylnona-3,7-dienyl]-2,5,5-trimethyl-1,3-dioxane;2-[(Z)-4,8-dimethylnon-3-enyl]-2,5,5-trimethyl-1,3-dioxane
CID 139326839
3,7-dimethylocta-2,6-dienal
CID 8843
[(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-di(propan-2-yl)phosphane
CID 50905460
(4E,6E,8E,10E,12E,14E,16E,18E)-2,6,11,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaene
CID 58079855
2,6,10,14,19,23,27,31-octamethyldotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,30-tetradecaene
CID 53395140
3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaene
CID 123202578
2,6,10,11-tetramethyldodeca-2,6,8-triene
CID 123796118

Frequently Asked Questions

What is the IUPAC name of 2-[(1Z,3Z)-4,8-dimethylnona-1,3,7-trienyl]-2,5,5-trimethyl-1,3-dioxane?
The IUPAC name of 2-[(1Z,3Z)-4,8-dimethylnona-1,3,7-trienyl]-2,5,5-trimethyl-1,3-dioxane (CID 90239000) is 2-[(1Z,3Z)-4,8-dimethylnona-1,3,7-trienyl]-2,5,5-trimethyl-1,3-dioxane.
What is the SMILES notation for 2-[(1Z,3Z)-4,8-dimethylnona-1,3,7-trienyl]-2,5,5-trimethyl-1,3-dioxane?
The canonical SMILES for 2-[(1Z,3Z)-4,8-dimethylnona-1,3,7-trienyl]-2,5,5-trimethyl-1,3-dioxane is CC(C)=CCC/C(C)=C\C=C/C1(C)OCC(C)(C)CO1.
What is the InChIKey of 2-[(1Z,3Z)-4,8-dimethylnona-1,3,7-trienyl]-2,5,5-trimethyl-1,3-dioxane?
The InChIKey is IQSVAAIMZOUEPW-FNWGKNFXSA-N. The full InChI is InChI=1S/C18H30O2/c1-15(2)9-7-10-16(3)11-8-12-18(6)19-13-17(4,5)14-20-18/h8-9,11-12H,7,10,13-14H2,1-6H3/b12-8-,16-11-.
What are the key properties of 2-[(1Z,3Z)-4,8-dimethylnona-1,3,7-trienyl]-2,5,5-trimethyl-1,3-dioxane?
2-[(1Z,3Z)-4,8-dimethylnona-1,3,7-trienyl]-2,5,5-trimethyl-1,3-dioxane has a molecular weight of 278.44 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z,3Z)-4,8-dimethylnona-1,3,7-trienyl]-2,5,5-trimethyl-1,3-dioxane is sourced from PubChem (CID 90239000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).