(4E)-10-methyl-6-methylideneundeca-4,9-dien-1-yne

C13H18 — CID 162518508

IUPAC(4E)-10-methyl-6-methylideneundeca-4,9-dien-1-yne
SMILESC#CC/C=C/C(=C)CCC=C(C)C
InChIInChI=1S/C13H18/c1-5-6-7-10-13(4)11-8-9-12(2)3/h1,7,9-10H,4,6,8,11H2,2-3H3/b10-7+
InChIKeyFDSPFAKAALACHP-JXMROGBWSA-N
MW174.29 g/mol
LogP3.87
Rot. Bonds5

About (4E)-10-methyl-6-methylideneundeca-4,9-dien-1-yne

(4E)-10-methyl-6-methylideneundeca-4,9-dien-1-yne (PubChem CID 162518508) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is (4E)-10-methyl-6-methylideneundeca-4,9-dien-1-yne.

Molecular Properties

Compound Name(4E)-10-methyl-6-methylideneundeca-4,9-dien-1-yne
PubChem CID162518508
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name(4E)-10-methyl-6-methylideneundeca-4,9-dien-1-yne
SMILESC#CC/C=C/C(=C)CCC=C(C)C
InChIInChI=1S/C13H18/c1-5-6-7-10-13(4)11-8-9-12(2)3/h1,7,9-10H,4,6,8,11H2,2-3H3/b10-7+
InChIKeyFDSPFAKAALACHP-JXMROGBWSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-10-methyl-6-methylideneundeca-4,9-dien-1-yne?
The IUPAC name of (4E)-10-methyl-6-methylideneundeca-4,9-dien-1-yne (CID 162518508) is (4E)-10-methyl-6-methylideneundeca-4,9-dien-1-yne.
What is the SMILES notation for (4E)-10-methyl-6-methylideneundeca-4,9-dien-1-yne?
The canonical SMILES for (4E)-10-methyl-6-methylideneundeca-4,9-dien-1-yne is C#CC/C=C/C(=C)CCC=C(C)C.
What is the InChIKey of (4E)-10-methyl-6-methylideneundeca-4,9-dien-1-yne?
The InChIKey is FDSPFAKAALACHP-JXMROGBWSA-N. The full InChI is InChI=1S/C13H18/c1-5-6-7-10-13(4)11-8-9-12(2)3/h1,7,9-10H,4,6,8,11H2,2-3H3/b10-7+.
What are the key properties of (4E)-10-methyl-6-methylideneundeca-4,9-dien-1-yne?
(4E)-10-methyl-6-methylideneundeca-4,9-dien-1-yne has a molecular weight of 174.29 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-10-methyl-6-methylideneundeca-4,9-dien-1-yne is sourced from PubChem (CID 162518508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).