(3E,5Z)-4,5,6-triethyldodeca-3,5-dien-7-yne

C18H30 — CID 10900945

IUPAC(3E,5Z)-4,5,6-triethyldodeca-3,5-dien-7-yne
SMILESCC/C=C(CC)/C(CC)=C(\C#CCCCC)CC
InChIInChI=1S/C18H30/c1-6-11-12-13-15-17(9-4)18(10-5)16(8-3)14-7-2/h14H,6-12H2,1-5H3/b16-14+,18-17-
InChIKeyNMQVSKMYNAWOET-YDNIAVERSA-N
MW246.44 g/mol
LogP6.04
Rot. Bonds7

About (3E,5Z)-4,5,6-triethyldodeca-3,5-dien-7-yne

(3E,5Z)-4,5,6-triethyldodeca-3,5-dien-7-yne (PubChem CID 10900945) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is (3E,5Z)-4,5,6-triethyldodeca-3,5-dien-7-yne.

Molecular Properties

Compound Name(3E,5Z)-4,5,6-triethyldodeca-3,5-dien-7-yne
PubChem CID10900945
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name(3E,5Z)-4,5,6-triethyldodeca-3,5-dien-7-yne
SMILESCC/C=C(CC)/C(CC)=C(\C#CCCCC)CC
InChIInChI=1S/C18H30/c1-6-11-12-13-15-17(9-4)18(10-5)16(8-3)14-7-2/h14H,6-12H2,1-5H3/b16-14+,18-17-
InChIKeyNMQVSKMYNAWOET-YDNIAVERSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3E,5Z)-4,5,6-triethyldodeca-3,5-dien-7-yne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(all-E)-1,7,9-Heptadecatriene-11,13,15-triyne
CID 14409592
7-Ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene
CID 14753114
1,7,9,15-Heptadecatetraene-11,13-diyne
CID 6442686
Heptadeca-1,7,9-trien-11,13,15-triyne
CID 72731071
CID 72738899
CID 72738899
CID 72738900
CID 72738900
Heptadeca-2,8,10-trien-4,6-diyne
CID 153991204
4,5-Diethyl-3,5-octadiene
CID 5368963
(3Z,5E)-4,5-diethyl-octa-3,5-diene
CID 5358324
5,9,14,18,22-Pentamethyl-tricosa-5,9,13,17,21-pentaen-1-yne
CID 14544609
5,9,14,18-Tetramethyl-docosa-5,9,13,17-tetraene-1,21-diyne
CID 14544610
Heptadeca-1,7,9,15-tetraen-11,13-diyne
CID 182354

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-4,5,6-triethyldodeca-3,5-dien-7-yne?
The IUPAC name of (3E,5Z)-4,5,6-triethyldodeca-3,5-dien-7-yne (CID 10900945) is (3E,5Z)-4,5,6-triethyldodeca-3,5-dien-7-yne.
What is the SMILES notation for (3E,5Z)-4,5,6-triethyldodeca-3,5-dien-7-yne?
The canonical SMILES for (3E,5Z)-4,5,6-triethyldodeca-3,5-dien-7-yne is CC/C=C(CC)/C(CC)=C(\C#CCCCC)CC.
What is the InChIKey of (3E,5Z)-4,5,6-triethyldodeca-3,5-dien-7-yne?
The InChIKey is NMQVSKMYNAWOET-YDNIAVERSA-N. The full InChI is InChI=1S/C18H30/c1-6-11-12-13-15-17(9-4)18(10-5)16(8-3)14-7-2/h14H,6-12H2,1-5H3/b16-14+,18-17-.
What are the key properties of (3E,5Z)-4,5,6-triethyldodeca-3,5-dien-7-yne?
(3E,5Z)-4,5,6-triethyldodeca-3,5-dien-7-yne has a molecular weight of 246.44 g/mol, XLogP of 6.04, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4,5,6-triethyldodeca-3,5-dien-7-yne is sourced from PubChem (CID 10900945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).