1-[(5Z,8E,10E)-5-[(Z)-but-2-enylidene]-3,8,11,12-tetramethyl-4,6-dimethylidenetrideca-1,8,10,12-tetraen-2-yl]-4-methylbenzene;ethane;ethene;methane

C35H52 — CID 155717435

IUPAC1-[(5Z,8E,10E)-5-[(Z)-but-2-enylidene]-3,8,11,12-tetramethyl-4,6-dimethylidenetrideca-1,8,10,12-tetraen-2-yl]-4-methylbenzene;ethane;ethene;methane
SMILESC.C=C.C=C(C/C(C)=C/C=C(\C)C(=C)C)/C(=C/C=C\C)C(=C)C(C)C(=C)c1ccc(C)cc1.CC
InChIInChI=1S/C30H38.C2H6.C2H4.CH4/c1-11-12-13-30(25(7)20-23(5)14-17-24(6)21(2)3)28(10)26(8)27(9)29-18-15-22(4)16-19-29;2*1-2;/h11-19,26H,2,7,9-10,20H2,1,3-6,8H3;1-2H3;1-2H2;1H4/b12-11-,23-14+,24-17+,30-13-;;;
InChIKeyMKOVTTYCHATPEW-PWEPJNKOSA-N
MW472.80 g/mol
LogP11.58
Rot. Bonds10

About 1-[(5Z,8E,10E)-5-[(Z)-but-2-enylidene]-3,8,11,12-tetramethyl-4,6-dimethylidenetrideca-1,8,10,12-tetraen-2-yl]-4-methylbenzene;ethane;ethene;methane

1-[(5Z,8E,10E)-5-[(Z)-but-2-enylidene]-3,8,11,12-tetramethyl-4,6-dimethylidenetrideca-1,8,10,12-tetraen-2-yl]-4-methylbenzene;ethane;ethene;methane (PubChem CID 155717435) has the molecular formula C35H52 and a molecular weight of 472.80 g/mol. Its IUPAC name is 1-[(5Z,8E,10E)-5-[(Z)-but-2-enylidene]-3,8,11,12-tetramethyl-4,6-dimethylidenetrideca-1,8,10,12-tetraen-2-yl]-4-methylbenzene;ethane;ethene;methane.

Molecular Properties

Compound Name1-[(5Z,8E,10E)-5-[(Z)-but-2-enylidene]-3,8,11,12-tetramethyl-4,6-dimethylidenetrideca-1,8,10,12-tetraen-2-yl]-4-methylbenzene;ethane;ethene;methane
PubChem CID155717435
Molecular FormulaC35H52
Molecular Weight472.80 g/mol
Exact Mass472.41
IUPAC Name1-[(5Z,8E,10E)-5-[(Z)-but-2-enylidene]-3,8,11,12-tetramethyl-4,6-dimethylidenetrideca-1,8,10,12-tetraen-2-yl]-4-methylbenzene;ethane;ethene;methane
SMILESC.C=C.C=C(C/C(C)=C/C=C(\C)C(=C)C)/C(=C/C=C\C)C(=C)C(C)C(=C)c1ccc(C)cc1.CC
InChIInChI=1S/C30H38.C2H6.C2H4.CH4/c1-11-12-13-30(25(7)20-23(5)14-17-24(6)21(2)3)28(10)26(8)27(9)29-18-15-22(4)16-19-29;2*1-2;/h11-19,26H,2,7,9-10,20H2,1,3-6,8H3;1-2H3;1-2H2;1H4/b12-11-,23-14+,24-17+,30-13-;;;
InChIKeyMKOVTTYCHATPEW-PWEPJNKOSA-N
XLogP11.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.80
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(5Z,8E,10E)-5-[(Z)-but-2-enylidene]-3,8,11,12-tetramethyl-4,6-dimethylidenetrideca-1,8,10,12-tetraen-2-yl]-4-methylbenzene;ethane;ethene;methane?
The IUPAC name of 1-[(5Z,8E,10E)-5-[(Z)-but-2-enylidene]-3,8,11,12-tetramethyl-4,6-dimethylidenetrideca-1,8,10,12-tetraen-2-yl]-4-methylbenzene;ethane;ethene;methane (CID 155717435) is 1-[(5Z,8E,10E)-5-[(Z)-but-2-enylidene]-3,8,11,12-tetramethyl-4,6-dimethylidenetrideca-1,8,10,12-tetraen-2-yl]-4-methylbenzene;ethane;ethene;methane.
What is the SMILES notation for 1-[(5Z,8E,10E)-5-[(Z)-but-2-enylidene]-3,8,11,12-tetramethyl-4,6-dimethylidenetrideca-1,8,10,12-tetraen-2-yl]-4-methylbenzene;ethane;ethene;methane?
The canonical SMILES for 1-[(5Z,8E,10E)-5-[(Z)-but-2-enylidene]-3,8,11,12-tetramethyl-4,6-dimethylidenetrideca-1,8,10,12-tetraen-2-yl]-4-methylbenzene;ethane;ethene;methane is C.C=C.C=C(C/C(C)=C/C=C(\C)C(=C)C)/C(=C/C=C\C)C(=C)C(C)C(=C)c1ccc(C)cc1.CC.
What is the InChIKey of 1-[(5Z,8E,10E)-5-[(Z)-but-2-enylidene]-3,8,11,12-tetramethyl-4,6-dimethylidenetrideca-1,8,10,12-tetraen-2-yl]-4-methylbenzene;ethane;ethene;methane?
The InChIKey is MKOVTTYCHATPEW-PWEPJNKOSA-N. The full InChI is InChI=1S/C30H38.C2H6.C2H4.CH4/c1-11-12-13-30(25(7)20-23(5)14-17-24(6)21(2)3)28(10)26(8)27(9)29-18-15-22(4)16-19-29;2*1-2;/h11-19,26H,2,7,9-10,20H2,1,3-6,8H3;1-2H3;1-2H2;1H4/b12-11-,23-14+,24-17+,30-13-;;;.
What are the key properties of 1-[(5Z,8E,10E)-5-[(Z)-but-2-enylidene]-3,8,11,12-tetramethyl-4,6-dimethylidenetrideca-1,8,10,12-tetraen-2-yl]-4-methylbenzene;ethane;ethene;methane?
1-[(5Z,8E,10E)-5-[(Z)-but-2-enylidene]-3,8,11,12-tetramethyl-4,6-dimethylidenetrideca-1,8,10,12-tetraen-2-yl]-4-methylbenzene;ethane;ethene;methane has a molecular weight of 472.80 g/mol, XLogP of 11.58, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5Z,8E,10E)-5-[(Z)-but-2-enylidene]-3,8,11,12-tetramethyl-4,6-dimethylidenetrideca-1,8,10,12-tetraen-2-yl]-4-methylbenzene;ethane;ethene;methane is sourced from PubChem (CID 155717435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).