5-ethylidene-7-ethynyl-11,11,17-trimethylnonadeca-1,3,15-triene

C26H42 — CID 90817193

IUPAC5-ethylidene-7-ethynyl-11,11,17-trimethylnonadeca-1,3,15-triene
SMILESC#CC(CCCC(C)(C)CCCC=CC(C)CC)CC(C=CC=C)=CC
InChIInChI=1S/C26H42/c1-8-12-18-24(10-3)22-25(11-4)19-16-21-26(6,7)20-15-13-14-17-23(5)9-2/h4,8,10,12,14,17-18,23,25H,1,9,13,15-16,19-22H2,2-3,5-7H3
InChIKeySQURZYMOFJMLOW-UHFFFAOYSA-N
MW354.62 g/mol
LogP8.28
Rot. Bonds14

About 5-ethylidene-7-ethynyl-11,11,17-trimethylnonadeca-1,3,15-triene

5-ethylidene-7-ethynyl-11,11,17-trimethylnonadeca-1,3,15-triene (PubChem CID 90817193) has the molecular formula C26H42 and a molecular weight of 354.62 g/mol. Its IUPAC name is 5-ethylidene-7-ethynyl-11,11,17-trimethylnonadeca-1,3,15-triene.

Molecular Properties

Compound Name5-ethylidene-7-ethynyl-11,11,17-trimethylnonadeca-1,3,15-triene
PubChem CID90817193
Molecular FormulaC26H42
Molecular Weight354.62 g/mol
Exact Mass354.33
IUPAC Name5-ethylidene-7-ethynyl-11,11,17-trimethylnonadeca-1,3,15-triene
SMILESC#CC(CCCC(C)(C)CCCC=CC(C)CC)CC(C=CC=C)=CC
InChIInChI=1S/C26H42/c1-8-12-18-24(10-3)22-25(11-4)19-16-21-26(6,7)20-15-13-14-17-23(5)9-2/h4,8,10,12,14,17-18,23,25H,1,9,13,15-16,19-22H2,2-3,5-7H3
InChIKeySQURZYMOFJMLOW-UHFFFAOYSA-N
XLogP8.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[(1E,3Z,5E,9Z,11E,13E,15E,17Z,19Z)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,9,11,13,15,17,19,23-decaenyl]-1,3,3-trimethylcyclohexene
CID 131751816
1',2'-Dihydro-gamma-carotene
CID 16061276
2-[(1E,3E,5E)-3,7-dimethylnona-1,3,5,8-tetraenyl]-1,3,3-trimethylcyclohexene
CID 445186
15,15' Didehydro-beta-carotene
CID 21598333
1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E)-3,7,12,16-tetramethylheptadeca-1,3,5,7,9,11,13,15-octaenyl]cyclohexene
CID 100983893
(3E,6S,10S,14S)-2,6,10,14-tetramethylhexadeca-1,3-diene
CID 162845689
15,15'-Dehydro-beta-carotene
CID 6437325
1,3-Hexadecadiene, 2,6,10,14-tetramethyl-
CID 53423857
3,7,11,15-Tetramethylhexadeca-2,4-diene
CID 54405920
Phytadiene 1
CID 5352800
Hexadecadiene, 2,6,10,14-tetramethyl-
CID 90471422
1,3,3-trimethyl-2-[(E)-7-methyl-3-methylidenenon-1-enyl]cyclohexa-1,4-diene
CID 445590

Frequently Asked Questions

What is the IUPAC name of 5-ethylidene-7-ethynyl-11,11,17-trimethylnonadeca-1,3,15-triene?
The IUPAC name of 5-ethylidene-7-ethynyl-11,11,17-trimethylnonadeca-1,3,15-triene (CID 90817193) is 5-ethylidene-7-ethynyl-11,11,17-trimethylnonadeca-1,3,15-triene.
What is the SMILES notation for 5-ethylidene-7-ethynyl-11,11,17-trimethylnonadeca-1,3,15-triene?
The canonical SMILES for 5-ethylidene-7-ethynyl-11,11,17-trimethylnonadeca-1,3,15-triene is C#CC(CCCC(C)(C)CCCC=CC(C)CC)CC(C=CC=C)=CC.
What is the InChIKey of 5-ethylidene-7-ethynyl-11,11,17-trimethylnonadeca-1,3,15-triene?
The InChIKey is SQURZYMOFJMLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42/c1-8-12-18-24(10-3)22-25(11-4)19-16-21-26(6,7)20-15-13-14-17-23(5)9-2/h4,8,10,12,14,17-18,23,25H,1,9,13,15-16,19-22H2,2-3,5-7H3.
What are the key properties of 5-ethylidene-7-ethynyl-11,11,17-trimethylnonadeca-1,3,15-triene?
5-ethylidene-7-ethynyl-11,11,17-trimethylnonadeca-1,3,15-triene has a molecular weight of 354.62 g/mol, XLogP of 8.28, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylidene-7-ethynyl-11,11,17-trimethylnonadeca-1,3,15-triene is sourced from PubChem (CID 90817193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).