(6E,10E,14E)-6,7,10,11,14,15-hexaethyl-3,18-dimethylideneicosa-6,10,14-trien-4,8,12,16-tetrayne

C34H44 — CID 135030373

IUPAC(6E,10E,14E)-6,7,10,11,14,15-hexaethyl-3,18-dimethylideneicosa-6,10,14-trien-4,8,12,16-tetrayne
SMILESC=C(C#C/C(CC)=C(/C#C/C(CC)=C(/C#C/C(CC)=C(/C#CC(=C)CC)CC)CC)CC)CC
InChIInChI=1S/C34H44/c1-11-27(9)19-21-29(13-3)31(15-5)23-25-33(17-7)34(18-8)26-24-32(16-6)30(14-4)22-20-28(10)12-2/h9-18H2,1-8H3/b31-29+,32-30+,34-33+
InChIKeyNGSLAKRRLUYVDF-VDPLCDLASA-N
MW452.73 g/mol
LogP9.28
Rot. Bonds8

About (6E,10E,14E)-6,7,10,11,14,15-hexaethyl-3,18-dimethylideneicosa-6,10,14-trien-4,8,12,16-tetrayne

(6E,10E,14E)-6,7,10,11,14,15-hexaethyl-3,18-dimethylideneicosa-6,10,14-trien-4,8,12,16-tetrayne (PubChem CID 135030373) has the molecular formula C34H44 and a molecular weight of 452.73 g/mol. Its IUPAC name is (6E,10E,14E)-6,7,10,11,14,15-hexaethyl-3,18-dimethylideneicosa-6,10,14-trien-4,8,12,16-tetrayne.

Molecular Properties

Compound Name(6E,10E,14E)-6,7,10,11,14,15-hexaethyl-3,18-dimethylideneicosa-6,10,14-trien-4,8,12,16-tetrayne
PubChem CID135030373
Molecular FormulaC34H44
Molecular Weight452.73 g/mol
Exact Mass452.34
IUPAC Name(6E,10E,14E)-6,7,10,11,14,15-hexaethyl-3,18-dimethylideneicosa-6,10,14-trien-4,8,12,16-tetrayne
SMILESC=C(C#C/C(CC)=C(/C#C/C(CC)=C(/C#C/C(CC)=C(/C#CC(=C)CC)CC)CC)CC)CC
InChIInChI=1S/C34H44/c1-11-27(9)19-21-29(13-3)31(15-5)23-25-33(17-7)34(18-8)26-24-32(16-6)30(14-4)22-20-28(10)12-2/h9-18H2,1-8H3/b31-29+,32-30+,34-33+
InChIKeyNGSLAKRRLUYVDF-VDPLCDLASA-N
XLogP9.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.73
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (6E,10E,14E)-6,7,10,11,14,15-hexaethyl-3,18-dimethylideneicosa-6,10,14-trien-4,8,12,16-tetrayne with MolForge

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Related Compounds

(3E)-4-Ethyl-3-nonen-5-yne
CID 5368780
4-Ethylnon-3-en-5-yne
CID 564545
(5E,9E,13E,17E,21E,25E,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethylnonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-yne
CID 11479321
5,6,11,12,17,18-Hexa(propan-2-ylidene)cyclooctadeca-1,3,7,9,13,15-hexayne
CID 154721470
3-Nonen-5-yne, 4-ethyl-, (Z)-
CID 5368781
2-Methylnon-2-en-5-yne
CID 57151649
(5E,9E,13E,17E,21E)-6,10,14,18,22,26-hexamethylheptacosa-5,9,13,17,21,25-hexaen-1-yne
CID 101001219
4-Methylnon-3-en-6-yne
CID 123162664
6-Ethyl-2-methylocta-1,6-dien-4-yne
CID 123717350
ethane;ethene;(Z)-4-methylhex-4-en-1-yne
CID 143719724
ethane;(1Z)-2-ethylcyclooct-1-en-3,6-diyne;methane
CID 144518212
ethane;(4Z)-8-methylnona-4,7-dien-1-yne
CID 144536542

Frequently Asked Questions

What is the IUPAC name of (6E,10E,14E)-6,7,10,11,14,15-hexaethyl-3,18-dimethylideneicosa-6,10,14-trien-4,8,12,16-tetrayne?
The IUPAC name of (6E,10E,14E)-6,7,10,11,14,15-hexaethyl-3,18-dimethylideneicosa-6,10,14-trien-4,8,12,16-tetrayne (CID 135030373) is (6E,10E,14E)-6,7,10,11,14,15-hexaethyl-3,18-dimethylideneicosa-6,10,14-trien-4,8,12,16-tetrayne.
What is the SMILES notation for (6E,10E,14E)-6,7,10,11,14,15-hexaethyl-3,18-dimethylideneicosa-6,10,14-trien-4,8,12,16-tetrayne?
The canonical SMILES for (6E,10E,14E)-6,7,10,11,14,15-hexaethyl-3,18-dimethylideneicosa-6,10,14-trien-4,8,12,16-tetrayne is C=C(C#C/C(CC)=C(/C#C/C(CC)=C(/C#C/C(CC)=C(/C#CC(=C)CC)CC)CC)CC)CC.
What is the InChIKey of (6E,10E,14E)-6,7,10,11,14,15-hexaethyl-3,18-dimethylideneicosa-6,10,14-trien-4,8,12,16-tetrayne?
The InChIKey is NGSLAKRRLUYVDF-VDPLCDLASA-N. The full InChI is InChI=1S/C34H44/c1-11-27(9)19-21-29(13-3)31(15-5)23-25-33(17-7)34(18-8)26-24-32(16-6)30(14-4)22-20-28(10)12-2/h9-18H2,1-8H3/b31-29+,32-30+,34-33+.
What are the key properties of (6E,10E,14E)-6,7,10,11,14,15-hexaethyl-3,18-dimethylideneicosa-6,10,14-trien-4,8,12,16-tetrayne?
(6E,10E,14E)-6,7,10,11,14,15-hexaethyl-3,18-dimethylideneicosa-6,10,14-trien-4,8,12,16-tetrayne has a molecular weight of 452.73 g/mol, XLogP of 9.28, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E,14E)-6,7,10,11,14,15-hexaethyl-3,18-dimethylideneicosa-6,10,14-trien-4,8,12,16-tetrayne is sourced from PubChem (CID 135030373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).