(3Z,5E)-3,4,5-triethylocta-3,5-dien-1-yne

C14H22 — CID 134964122

IUPAC(3Z,5E)-3,4,5-triethylocta-3,5-dien-1-yne
SMILESC#C/C(CC)=C(CC)\C(=C\CC)CC
InChIInChI=1S/C14H22/c1-6-11-13(9-4)14(10-5)12(7-2)8-3/h2,11H,6,8-10H2,1,3-5H3/b13-11+,14-12+
InChIKeyQDUOZXLOWMAQND-PHEQNACWSA-N
MW190.33 g/mol
LogP4.48
Rot. Bonds5

About (3Z,5E)-3,4,5-triethylocta-3,5-dien-1-yne

(3Z,5E)-3,4,5-triethylocta-3,5-dien-1-yne (PubChem CID 134964122) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is (3Z,5E)-3,4,5-triethylocta-3,5-dien-1-yne.

Molecular Properties

Compound Name(3Z,5E)-3,4,5-triethylocta-3,5-dien-1-yne
PubChem CID134964122
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name(3Z,5E)-3,4,5-triethylocta-3,5-dien-1-yne
SMILESC#C/C(CC)=C(CC)\C(=C\CC)CC
InChIInChI=1S/C14H22/c1-6-11-13(9-4)14(10-5)12(7-2)8-3/h2,11H,6,8-10H2,1,3-5H3/b13-11+,14-12+
InChIKeyQDUOZXLOWMAQND-PHEQNACWSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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
(5E)-6,10-Dimethyl-5,9-undecadien-1-yne
CID 5365876
7-Methyl-3-methyleneoct-6-en-1-yne
CID 11018920
1-Hex-1-ynyl-cyclohexene
CID 11147892
(5Z)-5-prop-1-ynylpentadeca-1,5,7,8,14-pentaene
CID 10263693
(5Z)-6,10-dimethylundeca-5,9-dien-1-yne
CID 11286780
1-Ethinylcyclohexa-1,3-diene
CID 10944644
(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yne
CID 10955809
(3Z,5Z)-3,6-dimethyl-3,5-decadiene
CID 12936886

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-3,4,5-triethylocta-3,5-dien-1-yne?
The IUPAC name of (3Z,5E)-3,4,5-triethylocta-3,5-dien-1-yne (CID 134964122) is (3Z,5E)-3,4,5-triethylocta-3,5-dien-1-yne.
What is the SMILES notation for (3Z,5E)-3,4,5-triethylocta-3,5-dien-1-yne?
The canonical SMILES for (3Z,5E)-3,4,5-triethylocta-3,5-dien-1-yne is C#C/C(CC)=C(CC)\C(=C\CC)CC.
What is the InChIKey of (3Z,5E)-3,4,5-triethylocta-3,5-dien-1-yne?
The InChIKey is QDUOZXLOWMAQND-PHEQNACWSA-N. The full InChI is InChI=1S/C14H22/c1-6-11-13(9-4)14(10-5)12(7-2)8-3/h2,11H,6,8-10H2,1,3-5H3/b13-11+,14-12+.
What are the key properties of (3Z,5E)-3,4,5-triethylocta-3,5-dien-1-yne?
(3Z,5E)-3,4,5-triethylocta-3,5-dien-1-yne has a molecular weight of 190.33 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-3,4,5-triethylocta-3,5-dien-1-yne is sourced from PubChem (CID 134964122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).