(3Z,7Z)-2,10,13-trimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraene

C21H30 — CID 145009658

IUPAC(3Z,7Z)-2,10,13-trimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraene
SMILESC=CC(C)CCC(C)C(=C)/C=C\C(=C)C(=C)/C=C\C(=C)C
InChIInChI=1S/C21H30/c1-9-17(4)11-13-19(6)21(8)15-14-20(7)18(5)12-10-16(2)3/h9-10,12,14-15,17,19H,1-2,5,7-8,11,13H2,3-4,6H3/b12-10-,15-14-
InChIKeyXEQQJGWAZYHMJQ-CWXQJLEJSA-N
MW282.47 g/mol
LogP6.58
Rot. Bonds10

About (3Z,7Z)-2,10,13-trimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraene

(3Z,7Z)-2,10,13-trimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraene (PubChem CID 145009658) has the molecular formula C21H30 and a molecular weight of 282.47 g/mol. Its IUPAC name is (3Z,7Z)-2,10,13-trimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraene.

Molecular Properties

Compound Name(3Z,7Z)-2,10,13-trimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraene
PubChem CID145009658
Molecular FormulaC21H30
Molecular Weight282.47 g/mol
Exact Mass282.23
IUPAC Name(3Z,7Z)-2,10,13-trimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraene
SMILESC=CC(C)CCC(C)C(=C)/C=C\C(=C)C(=C)/C=C\C(=C)C
InChIInChI=1S/C21H30/c1-9-17(4)11-13-19(6)21(8)15-14-20(7)18(5)12-10-16(2)3/h9-10,12,14-15,17,19H,1-2,5,7-8,11,13H2,3-4,6H3/b12-10-,15-14-
InChIKeyXEQQJGWAZYHMJQ-CWXQJLEJSA-N
XLogP6.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 56.58
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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Related Compounds

(3Z)-2,6,9-trimethyl-5-methylidenedeca-1,3-diene
CID 142315243
(3Z)-8-methoxy-2,6-dimethyl-5-methylideneocta-1,3-diene
CID 145192071
(3Z,7Z)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
CID 143727055
(3Z)-6,9-dimethyl-2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxy-5-methylidenedeca-1,3-diene
CID 144754217
(3Z,7Z)-2,10-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;ethane
CID 143250698
2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 123828527
ethane;3-methylheptane;(3Z)-2,6,9-trimethyl-5-methylideneundeca-1,3-diene
CID 143901355
(3Z,7Z)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
CID 144676252
2,6-dimethylocta-1,3,7-triene
CID 522318
[(8Z)-3,6,10-trimethyl-7-methylideneundeca-8,10-dienyl]benzene
CID 145464220
2,5-dimethylhept-6-enal
CID 88788284
2,6-dimethyloct-7-enoic acid
CID 59229292

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z)-2,10,13-trimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraene?
The IUPAC name of (3Z,7Z)-2,10,13-trimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraene (CID 145009658) is (3Z,7Z)-2,10,13-trimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraene.
What is the SMILES notation for (3Z,7Z)-2,10,13-trimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraene?
The canonical SMILES for (3Z,7Z)-2,10,13-trimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraene is C=CC(C)CCC(C)C(=C)/C=C\C(=C)C(=C)/C=C\C(=C)C.
What is the InChIKey of (3Z,7Z)-2,10,13-trimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraene?
The InChIKey is XEQQJGWAZYHMJQ-CWXQJLEJSA-N. The full InChI is InChI=1S/C21H30/c1-9-17(4)11-13-19(6)21(8)15-14-20(7)18(5)12-10-16(2)3/h9-10,12,14-15,17,19H,1-2,5,7-8,11,13H2,3-4,6H3/b12-10-,15-14-.
What are the key properties of (3Z,7Z)-2,10,13-trimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraene?
(3Z,7Z)-2,10,13-trimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraene has a molecular weight of 282.47 g/mol, XLogP of 6.58, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z)-2,10,13-trimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraene is sourced from PubChem (CID 145009658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).