(4Z,8Z,12Z)-8-ethyl-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene

C30H44 — CID 145235202

IUPAC(4Z,8Z,12Z)-8-ethyl-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene
SMILESC=C(/C=C\C(=C)C(=C)/C(=C\C(=C)C(=C)/C=C\C(=C)C(C)CCC(C)CC)CC)CC
InChIInChI=1S/C30H44/c1-12-22(4)15-17-24(6)25(7)19-20-26(8)28(10)21-30(14-3)29(11)27(9)18-16-23(5)13-2/h16,18-22,24H,5,7-15,17H2,1-4,6H3/b18-16-,20-19-,30-21-
InChIKeyIAQCFAOSECCCNQ-JIBGAYTCSA-N
MW404.68 g/mol
LogP9.64
Rot. Bonds15

About (4Z,8Z,12Z)-8-ethyl-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene

(4Z,8Z,12Z)-8-ethyl-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene (PubChem CID 145235202) has the molecular formula C30H44 and a molecular weight of 404.68 g/mol. Its IUPAC name is (4Z,8Z,12Z)-8-ethyl-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene.

Molecular Properties

Compound Name(4Z,8Z,12Z)-8-ethyl-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene
PubChem CID145235202
Molecular FormulaC30H44
Molecular Weight404.68 g/mol
Exact Mass404.34
IUPAC Name(4Z,8Z,12Z)-8-ethyl-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene
SMILESC=C(/C=C\C(=C)C(=C)/C(=C\C(=C)C(=C)/C=C\C(=C)C(C)CCC(C)CC)CC)CC
InChIInChI=1S/C30H44/c1-12-22(4)15-17-24(6)25(7)19-20-26(8)28(10)21-30(14-3)29(11)27(9)18-16-23(5)13-2/h16,18-22,24H,5,7-15,17H2,1-4,6H3/b18-16-,20-19-,30-21-
InChIKeyIAQCFAOSECCCNQ-JIBGAYTCSA-N
XLogP9.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.68
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (4Z,8Z,12Z)-8-ethyl-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene with MolForge

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Related Compounds

(3Z,7Z,11Z)-4-ethyl-2-methoxy-14,17-dimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11-tetraene;propane
CID 142281976
(Z)-7,10,11,14-tetramethyl-3,6-dimethylidenehexadec-4-ene
CID 144714644
(4Z,8Z,12Z)-8-ethyl-3,6,7,10,11,14-hexamethylidenehexadeca-4,8,12-triene;N-methyl-N-methylsulfanylmethanamine;propane
CID 145235020
[(3Z,7Z,11Z)-3-(1-methoxyethenyl)-8,14,17-trimethyl-5,6,9,10,13-pentamethylidenenonadeca-3,7,11-trienyl] formate;2-methylprop-1-ene
CID 145122378
ethane;3-methylheptane;(3Z)-2,6,9-trimethyl-5-methylideneundeca-1,3-diene
CID 143901355
(Z)-6,9-dimethyl-2,5-dimethylideneundec-3-enenitrile
CID 142297576
[(2E,6E)-2-but-1-en-2-yl-6-fluoro-9,12-dimethyl-4,5,8-trimethylidenetetradeca-2,6-dienyl] acetate
CID 145122796
(4E,8Z)-5-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene;2-methylprop-2-enal
CID 145122813
(3Z,7E)-8-fluoro-10,13,14,17-tetramethyl-5,6,9-trimethylidenenonadeca-1,3,7-trien-2-ol
CID 142281394
prop-1-ene;(4Z,8Z)-3,6,7,10-tetramethylidenedodeca-4,8-diene
CID 144612607
[(3Z,7Z)-3-[(4Z)-3,6-dimethylideneocta-1,4-dien-2-yl]-9-methyl-5,6-dimethylidenedeca-3,7,9-trienyl] 2-methylprop-2-enoate
CID 145122786
(3E,7Z)-4-(methoxymethyl)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene
CID 145122159

Frequently Asked Questions

What is the IUPAC name of (4Z,8Z,12Z)-8-ethyl-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene?
The IUPAC name of (4Z,8Z,12Z)-8-ethyl-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene (CID 145235202) is (4Z,8Z,12Z)-8-ethyl-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene.
What is the SMILES notation for (4Z,8Z,12Z)-8-ethyl-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene?
The canonical SMILES for (4Z,8Z,12Z)-8-ethyl-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene is C=C(/C=C\C(=C)C(=C)/C(=C\C(=C)C(=C)/C=C\C(=C)C(C)CCC(C)CC)CC)CC.
What is the InChIKey of (4Z,8Z,12Z)-8-ethyl-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene?
The InChIKey is IAQCFAOSECCCNQ-JIBGAYTCSA-N. The full InChI is InChI=1S/C30H44/c1-12-22(4)15-17-24(6)25(7)19-20-26(8)28(10)21-30(14-3)29(11)27(9)18-16-23(5)13-2/h16,18-22,24H,5,7-15,17H2,1-4,6H3/b18-16-,20-19-,30-21-.
What are the key properties of (4Z,8Z,12Z)-8-ethyl-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene?
(4Z,8Z,12Z)-8-ethyl-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene has a molecular weight of 404.68 g/mol, XLogP of 9.64, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,8Z,12Z)-8-ethyl-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene is sourced from PubChem (CID 145235202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).