2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,3-dioxole

C20H32O2 — CID 141403807

IUPAC2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,3-dioxole
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCC1(C)OC=CO1
InChIInChI=1S/C20H32O2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)21-15-16-22-20/h9,11,13,15-16H,6-8,10,12,14H2,1-5H3/b18-11+,19-13+
InChIKeyANCRJOHDJKXJDT-NWLVNBMCSA-N
MW304.47 g/mol
LogP6.42
Rot. Bonds9

About 2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,3-dioxole

2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,3-dioxole (PubChem CID 141403807) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is 2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,3-dioxole.

Molecular Properties

Compound Name2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,3-dioxole
PubChem CID141403807
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,3-dioxole
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCC1(C)OC=CO1
InChIInChI=1S/C20H32O2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)21-15-16-22-20/h9,11,13,15-16H,6-8,10,12,14H2,1-5H3/b18-11+,19-13+
InChIKeyANCRJOHDJKXJDT-NWLVNBMCSA-N
XLogP6.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)-1,3-dioxolane
CID 77156345
2,5,5-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-1,3-dioxane
CID 123618737
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-ethenyl-2-methyloxirane
CID 42600655
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
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
2-methyl-2-(4-methylpent-3-enyl)-3-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]oxirane
CID 14018531
[(2S,3R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methylaziridin-2-yl]methanol
CID 23243116
3-(4,8-dimethylnona-3,7-dienyl)-2,2-dimethyloxirane
CID 162821747

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,3-dioxole?
The IUPAC name of 2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,3-dioxole (CID 141403807) is 2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,3-dioxole.
What is the SMILES notation for 2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,3-dioxole?
The canonical SMILES for 2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,3-dioxole is CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC1(C)OC=CO1.
What is the InChIKey of 2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,3-dioxole?
The InChIKey is ANCRJOHDJKXJDT-NWLVNBMCSA-N. The full InChI is InChI=1S/C20H32O2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)21-15-16-22-20/h9,11,13,15-16H,6-8,10,12,14H2,1-5H3/b18-11+,19-13+.
What are the key properties of 2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,3-dioxole?
2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,3-dioxole has a molecular weight of 304.47 g/mol, XLogP of 6.42, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,3-dioxole is sourced from PubChem (CID 141403807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).