(3E)-4,8-dimethylnona-3,7-dien-1-yne

C11H16 — CID 11008074

IUPAC(3E)-4,8-dimethylnona-3,7-dien-1-yne
SMILESC#C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C11H16/c1-5-7-11(4)9-6-8-10(2)3/h1,7-8H,6,9H2,2-4H3/b11-7+
InChIKeySJXNBIFDWPOVMU-YRNVUSSQSA-N
MW148.25 g/mol
LogP3.31
Rot. Bonds3

About (3E)-4,8-dimethylnona-3,7-dien-1-yne

(3E)-4,8-dimethylnona-3,7-dien-1-yne (PubChem CID 11008074) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is (3E)-4,8-dimethylnona-3,7-dien-1-yne.

Molecular Properties

Compound Name(3E)-4,8-dimethylnona-3,7-dien-1-yne
PubChem CID11008074
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name(3E)-4,8-dimethylnona-3,7-dien-1-yne
SMILESC#C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C11H16/c1-5-7-11(4)9-6-8-10(2)3/h1,7-8H,6,9H2,2-4H3/b11-7+
InChIKeySJXNBIFDWPOVMU-YRNVUSSQSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-4,8-dimethylnona-3,7-dien-1-yne?
The IUPAC name of (3E)-4,8-dimethylnona-3,7-dien-1-yne (CID 11008074) is (3E)-4,8-dimethylnona-3,7-dien-1-yne.
What is the SMILES notation for (3E)-4,8-dimethylnona-3,7-dien-1-yne?
The canonical SMILES for (3E)-4,8-dimethylnona-3,7-dien-1-yne is C#C/C=C(\C)CCC=C(C)C.
What is the InChIKey of (3E)-4,8-dimethylnona-3,7-dien-1-yne?
The InChIKey is SJXNBIFDWPOVMU-YRNVUSSQSA-N. The full InChI is InChI=1S/C11H16/c1-5-7-11(4)9-6-8-10(2)3/h1,7-8H,6,9H2,2-4H3/b11-7+.
What are the key properties of (3E)-4,8-dimethylnona-3,7-dien-1-yne?
(3E)-4,8-dimethylnona-3,7-dien-1-yne has a molecular weight of 148.25 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4,8-dimethylnona-3,7-dien-1-yne is sourced from PubChem (CID 11008074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).