(7E)-8-fluoro-6-methyldeca-7,9-dien-3-yn-1-ol

C11H15FO — CID 146209361

IUPAC(7E)-8-fluoro-6-methyldeca-7,9-dien-3-yn-1-ol
SMILESC=C/C(F)=C\C(C)CC#CCCO
InChIInChI=1S/C11H15FO/c1-3-11(12)9-10(2)7-5-4-6-8-13/h3,9-10,13H,1,6-8H2,2H3/b11-9+
InChIKeyWKQILVLPJRGLKW-PKNBQFBNSA-N
MW182.24 g/mol
LogP2.44
Rot. Bonds4

About (7E)-8-fluoro-6-methyldeca-7,9-dien-3-yn-1-ol

(7E)-8-fluoro-6-methyldeca-7,9-dien-3-yn-1-ol (PubChem CID 146209361) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is (7E)-8-fluoro-6-methyldeca-7,9-dien-3-yn-1-ol.

Molecular Properties

Compound Name(7E)-8-fluoro-6-methyldeca-7,9-dien-3-yn-1-ol
PubChem CID146209361
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name(7E)-8-fluoro-6-methyldeca-7,9-dien-3-yn-1-ol
SMILESC=C/C(F)=C\C(C)CC#CCCO
InChIInChI=1S/C11H15FO/c1-3-11(12)9-10(2)7-5-4-6-8-13/h3,9-10,13H,1,6-8H2,2H3/b11-9+
InChIKeyWKQILVLPJRGLKW-PKNBQFBNSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 (7E)-8-fluoro-6-methyldeca-7,9-dien-3-yn-1-ol?
The IUPAC name of (7E)-8-fluoro-6-methyldeca-7,9-dien-3-yn-1-ol (CID 146209361) is (7E)-8-fluoro-6-methyldeca-7,9-dien-3-yn-1-ol.
What is the SMILES notation for (7E)-8-fluoro-6-methyldeca-7,9-dien-3-yn-1-ol?
The canonical SMILES for (7E)-8-fluoro-6-methyldeca-7,9-dien-3-yn-1-ol is C=C/C(F)=C\C(C)CC#CCCO.
What is the InChIKey of (7E)-8-fluoro-6-methyldeca-7,9-dien-3-yn-1-ol?
The InChIKey is WKQILVLPJRGLKW-PKNBQFBNSA-N. The full InChI is InChI=1S/C11H15FO/c1-3-11(12)9-10(2)7-5-4-6-8-13/h3,9-10,13H,1,6-8H2,2H3/b11-9+.
What are the key properties of (7E)-8-fluoro-6-methyldeca-7,9-dien-3-yn-1-ol?
(7E)-8-fluoro-6-methyldeca-7,9-dien-3-yn-1-ol has a molecular weight of 182.24 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-8-fluoro-6-methyldeca-7,9-dien-3-yn-1-ol is sourced from PubChem (CID 146209361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).