(5E)-2,6-dimethylnona-2,3,5-trien-7-yne

C11H14 — CID 15721127

IUPAC(5E)-2,6-dimethylnona-2,3,5-trien-7-yne
SMILESCC#C/C(C)=C/C=C=C(C)C
InChIInChI=1S/C11H14/c1-5-7-11(4)9-6-8-10(2)3/h6,9H,1-4H3/b11-9+
InChIKeyYLNSQBFAAGIIKB-PKNBQFBNSA-N
MW146.23 g/mol
LogP3.08
Rot. Bonds1

About (5E)-2,6-dimethylnona-2,3,5-trien-7-yne

(5E)-2,6-dimethylnona-2,3,5-trien-7-yne (PubChem CID 15721127) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is (5E)-2,6-dimethylnona-2,3,5-trien-7-yne.

Molecular Properties

Compound Name(5E)-2,6-dimethylnona-2,3,5-trien-7-yne
PubChem CID15721127
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name(5E)-2,6-dimethylnona-2,3,5-trien-7-yne
SMILESCC#C/C(C)=C/C=C=C(C)C
InChIInChI=1S/C11H14/c1-5-7-11(4)9-6-8-10(2)3/h6,9H,1-4H3/b11-9+
InChIKeyYLNSQBFAAGIIKB-PKNBQFBNSA-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

Biisocrotyl
CID 12992
2,7-Dimethylocta-2,6-dien-4-yne
CID 12460041
3-Methylhex-2-en-4-yne
CID 73828386
(3Z,5Z)-4-fluoro-3-methylhepta-3,5-dien-1-yne
CID 126761965
(3E,5E)-6-fluoro-3-methylhepta-3,5-dien-1-yne
CID 130347412
(3Z,5E)-6-fluoro-3-methylhepta-3,5-dien-1-yne
CID 157769490
3,6-Dimethyl-octa-2,6-dien-4-yne
CID 13415271
2-Methyl-2-hepten-4-yne
CID 555312
3-Ethylidene-2-methyl-1-hexen-4-yne
CID 534155
(3Z)-7-methylocta-3,5,6-trien-1-yne
CID 10749163
2,7-Dimethylocta-1,5,6-trien-3-yne
CID 12460038
1,1,1-Trideuterio-5-methyl-2-(trideuteriomethyl)hexa-2,4-diene
CID 12468928

Frequently Asked Questions

What is the IUPAC name of (5E)-2,6-dimethylnona-2,3,5-trien-7-yne?
The IUPAC name of (5E)-2,6-dimethylnona-2,3,5-trien-7-yne (CID 15721127) is (5E)-2,6-dimethylnona-2,3,5-trien-7-yne.
What is the SMILES notation for (5E)-2,6-dimethylnona-2,3,5-trien-7-yne?
The canonical SMILES for (5E)-2,6-dimethylnona-2,3,5-trien-7-yne is CC#C/C(C)=C/C=C=C(C)C.
What is the InChIKey of (5E)-2,6-dimethylnona-2,3,5-trien-7-yne?
The InChIKey is YLNSQBFAAGIIKB-PKNBQFBNSA-N. The full InChI is InChI=1S/C11H14/c1-5-7-11(4)9-6-8-10(2)3/h6,9H,1-4H3/b11-9+.
What are the key properties of (5E)-2,6-dimethylnona-2,3,5-trien-7-yne?
(5E)-2,6-dimethylnona-2,3,5-trien-7-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 (5E)-2,6-dimethylnona-2,3,5-trien-7-yne is sourced from PubChem (CID 15721127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).