(6E,10E,16E)-13-ethenyl-2,6,10,13,17,21-hexamethyldocosa-2,6,10,16,20-pentaene

C30H50 — CID 10409325

IUPAC(6E,10E,16E)-13-ethenyl-2,6,10,13,17,21-hexamethyldocosa-2,6,10,16,20-pentaene
SMILESC=CC(C)(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C30H50/c1-10-30(9,23-14-21-28(7)18-12-16-26(4)5)24-22-29(8)20-13-19-27(6)17-11-15-25(2)3/h10,15-16,19,21-22H,1,11-14,17-18,20,23-24H2,2-9H3/b27-19+,28-21+,29-22+
InChIKeyXSRVZWGEJJNECF-WQUKYQTMSA-N
MW410.73 g/mol
LogP10.46
Rot. Bonds15

About (6E,10E,16E)-13-ethenyl-2,6,10,13,17,21-hexamethyldocosa-2,6,10,16,20-pentaene

(6E,10E,16E)-13-ethenyl-2,6,10,13,17,21-hexamethyldocosa-2,6,10,16,20-pentaene (PubChem CID 10409325) has the molecular formula C30H50 and a molecular weight of 410.73 g/mol. Its IUPAC name is (6E,10E,16E)-13-ethenyl-2,6,10,13,17,21-hexamethyldocosa-2,6,10,16,20-pentaene.

Molecular Properties

Compound Name(6E,10E,16E)-13-ethenyl-2,6,10,13,17,21-hexamethyldocosa-2,6,10,16,20-pentaene
PubChem CID10409325
Molecular FormulaC30H50
Molecular Weight410.73 g/mol
Exact Mass410.39
IUPAC Name(6E,10E,16E)-13-ethenyl-2,6,10,13,17,21-hexamethyldocosa-2,6,10,16,20-pentaene
SMILESC=CC(C)(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C30H50/c1-10-30(9,23-14-21-28(7)18-12-16-26(4)5)24-22-29(8)20-13-19-27(6)17-11-15-25(2)3/h10,15-16,19,21-22H,1,11-14,17-18,20,23-24H2,2-9H3/b27-19+,28-21+,29-22+
InChIKeyXSRVZWGEJJNECF-WQUKYQTMSA-N
XLogP10.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.73
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (6E,10E,16E)-13-ethenyl-2,6,10,13,17,21-hexamethyldocosa-2,6,10,16,20-pentaene with MolForge

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Related Compounds

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(-)-Cembrene A
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3,5,5-Trimethylcyclohexene
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CID 79032
2,4,4,6,6-Pentamethyl-2-heptene
CID 170244
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3,5,5-Trimethyl-2-hexene
CID 5365055
2,6,6,9-Tetramethyl-cycloundeca-1,4,8-triene
CID 6508206
3,3,5-Trimethylcyclohexene
CID 79031
Pentene, 2,4,4-trimethyl-
CID 102601787
2,2,4,6,6-Pentamethyl-3-heptene
CID 31259

Frequently Asked Questions

What is the IUPAC name of (6E,10E,16E)-13-ethenyl-2,6,10,13,17,21-hexamethyldocosa-2,6,10,16,20-pentaene?
The IUPAC name of (6E,10E,16E)-13-ethenyl-2,6,10,13,17,21-hexamethyldocosa-2,6,10,16,20-pentaene (CID 10409325) is (6E,10E,16E)-13-ethenyl-2,6,10,13,17,21-hexamethyldocosa-2,6,10,16,20-pentaene.
What is the SMILES notation for (6E,10E,16E)-13-ethenyl-2,6,10,13,17,21-hexamethyldocosa-2,6,10,16,20-pentaene?
The canonical SMILES for (6E,10E,16E)-13-ethenyl-2,6,10,13,17,21-hexamethyldocosa-2,6,10,16,20-pentaene is C=CC(C)(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (6E,10E,16E)-13-ethenyl-2,6,10,13,17,21-hexamethyldocosa-2,6,10,16,20-pentaene?
The InChIKey is XSRVZWGEJJNECF-WQUKYQTMSA-N. The full InChI is InChI=1S/C30H50/c1-10-30(9,23-14-21-28(7)18-12-16-26(4)5)24-22-29(8)20-13-19-27(6)17-11-15-25(2)3/h10,15-16,19,21-22H,1,11-14,17-18,20,23-24H2,2-9H3/b27-19+,28-21+,29-22+.
What are the key properties of (6E,10E,16E)-13-ethenyl-2,6,10,13,17,21-hexamethyldocosa-2,6,10,16,20-pentaene?
(6E,10E,16E)-13-ethenyl-2,6,10,13,17,21-hexamethyldocosa-2,6,10,16,20-pentaene has a molecular weight of 410.73 g/mol, XLogP of 10.46, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E,16E)-13-ethenyl-2,6,10,13,17,21-hexamethyldocosa-2,6,10,16,20-pentaene is sourced from PubChem (CID 10409325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).