(3Z)-3,4,7-trimethylocta-3,5,6-trien-1-yne

C11H14 — CID 134977984

IUPAC(3Z)-3,4,7-trimethylocta-3,5,6-trien-1-yne
SMILESC#C/C(C)=C(/C)C=C=C(C)C
InChIInChI=1S/C11H14/c1-6-10(4)11(5)8-7-9(2)3/h1,8H,2-5H3/b11-10-
InChIKeyAPGNGYJHMCYORX-KHPPLWFESA-N
MW146.23 g/mol
LogP3.08
Rot. Bonds1

About (3Z)-3,4,7-trimethylocta-3,5,6-trien-1-yne

(3Z)-3,4,7-trimethylocta-3,5,6-trien-1-yne (PubChem CID 134977984) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is (3Z)-3,4,7-trimethylocta-3,5,6-trien-1-yne.

Molecular Properties

Compound Name(3Z)-3,4,7-trimethylocta-3,5,6-trien-1-yne
PubChem CID134977984
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name(3Z)-3,4,7-trimethylocta-3,5,6-trien-1-yne
SMILESC#C/C(C)=C(/C)C=C=C(C)C
InChIInChI=1S/C11H14/c1-6-10(4)11(5)8-7-9(2)3/h1,8H,2-5H3/b11-10-
InChIKeyAPGNGYJHMCYORX-KHPPLWFESA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 53.08
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

3,4-Diethynyl-2,5-dimethylhexa-2,4-diene
CID 154721570
(3Z,5E)-3-ethynyl-5-fluorohepta-1,3,5-triene
CID 167021732
3-Ethylidene-2-methyl-1-hexen-4-yne
CID 534155
3,4-Diethynylhexa-1,3,5-triene
CID 91477623
(4E,5E)-4,5-di(ethylidene)octa-2,6-diyne
CID 91999195
(3Z)-4,7-dimethylocta-3,5,6-trien-1-yne
CID 134993314
(3Z)-3,7-dimethylocta-3,5,6-trien-1-yne
CID 134993465
(3Z)-4-methylocta-3,5,6-trien-1-yne
CID 134993608
1-Hexen-4-yne, 3-ethylidene-2-methyl-
CID 5466633
(3E)-3-ethynyl-1,3-pentadiene
CID 13838147
(3E,5E)-2,6-dimethylocta-1,3,5-trien-7-yne
CID 20352453
2,6-Dimethylocta-1,3,5-trien-7-yne
CID 53723138

Frequently Asked Questions

What is the IUPAC name of (3Z)-3,4,7-trimethylocta-3,5,6-trien-1-yne?
The IUPAC name of (3Z)-3,4,7-trimethylocta-3,5,6-trien-1-yne (CID 134977984) is (3Z)-3,4,7-trimethylocta-3,5,6-trien-1-yne.
What is the SMILES notation for (3Z)-3,4,7-trimethylocta-3,5,6-trien-1-yne?
The canonical SMILES for (3Z)-3,4,7-trimethylocta-3,5,6-trien-1-yne is C#C/C(C)=C(/C)C=C=C(C)C.
What is the InChIKey of (3Z)-3,4,7-trimethylocta-3,5,6-trien-1-yne?
The InChIKey is APGNGYJHMCYORX-KHPPLWFESA-N. The full InChI is InChI=1S/C11H14/c1-6-10(4)11(5)8-7-9(2)3/h1,8H,2-5H3/b11-10-.
What are the key properties of (3Z)-3,4,7-trimethylocta-3,5,6-trien-1-yne?
(3Z)-3,4,7-trimethylocta-3,5,6-trien-1-yne has a molecular weight of 146.23 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3,4,7-trimethylocta-3,5,6-trien-1-yne is sourced from PubChem (CID 134977984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).