3-ethyl-6-methylhepta-3,5-dien-1-yne

C10H14 — CID 90949284

IUPAC3-ethyl-6-methylhepta-3,5-dien-1-yne
SMILESC#CC(=CC=C(C)C)CC
InChIInChI=1S/C10H14/c1-5-10(6-2)8-7-9(3)4/h1,7-8H,6H2,2-4H3
InChIKeyIVSJJNCEIVFRMG-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.92
Rot. Bonds2

About 3-ethyl-6-methylhepta-3,5-dien-1-yne

3-ethyl-6-methylhepta-3,5-dien-1-yne (PubChem CID 90949284) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 3-ethyl-6-methylhepta-3,5-dien-1-yne.

Molecular Properties

Compound Name3-ethyl-6-methylhepta-3,5-dien-1-yne
PubChem CID90949284
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name3-ethyl-6-methylhepta-3,5-dien-1-yne
SMILESC#CC(=CC=C(C)C)CC
InChIInChI=1S/C10H14/c1-5-10(6-2)8-7-9(3)4/h1,7-8H,6H2,2-4H3
InChIKeyIVSJJNCEIVFRMG-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.92
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

2,4-Hexadiene, 3,4-dimethyl-, (E,Z)-
CID 5368977
(E,E)-2,4-Hexadiene, 3,4-dimethyl-
CID 5462959
(E)-2,4-Hexadiene, 2,4-dimethyl-
CID 5463557
3,7-Dimethyl-3,6-octadien-1-yne
CID 53646631
(3E)-4-Ethyl-3-nonen-5-yne
CID 5368780
1,2,3,4-Tetramethyl-butadien
CID 137590
2,4-Hexadiene, 3,4-dimethyl-, (Z,Z)-
CID 5368954
(Z)-2,4-Hexadiene, 2,4-dimethyl-
CID 5463556
3,5-Dimethylhex-3-en-1-yne
CID 6366132
(E)-Pent-1-yne-3-ene, 3-ethyl-
CID 5462864
6-Methyl-5-hepten-1-yne
CID 519983
7-Methyl-3-methyleneoct-6-en-1-yne
CID 11018920

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methylhepta-3,5-dien-1-yne?
The IUPAC name of 3-ethyl-6-methylhepta-3,5-dien-1-yne (CID 90949284) is 3-ethyl-6-methylhepta-3,5-dien-1-yne.
What is the SMILES notation for 3-ethyl-6-methylhepta-3,5-dien-1-yne?
The canonical SMILES for 3-ethyl-6-methylhepta-3,5-dien-1-yne is C#CC(=CC=C(C)C)CC.
What is the InChIKey of 3-ethyl-6-methylhepta-3,5-dien-1-yne?
The InChIKey is IVSJJNCEIVFRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-5-10(6-2)8-7-9(3)4/h1,7-8H,6H2,2-4H3.
What are the key properties of 3-ethyl-6-methylhepta-3,5-dien-1-yne?
3-ethyl-6-methylhepta-3,5-dien-1-yne has a molecular weight of 134.22 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methylhepta-3,5-dien-1-yne is sourced from PubChem (CID 90949284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).