(4E)-4-fluoro-7-methyl-3,6-dimethylideneocta-4,7-dien-1-ol

C11H15FO — CID 144980618

IUPAC(4E)-4-fluoro-7-methyl-3,6-dimethylideneocta-4,7-dien-1-ol
SMILESC=C(C)C(=C)/C=C(/F)C(=C)CCO
InChIInChI=1S/C11H15FO/c1-8(2)10(4)7-11(12)9(3)5-6-13/h7,13H,1,3-6H2,2H3/b11-7+
InChIKeyUKFLHHJXXHWBIK-YRNVUSSQSA-N
MW182.24 g/mol
LogP2.91
Rot. Bonds5

About (4E)-4-fluoro-7-methyl-3,6-dimethylideneocta-4,7-dien-1-ol

(4E)-4-fluoro-7-methyl-3,6-dimethylideneocta-4,7-dien-1-ol (PubChem CID 144980618) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is (4E)-4-fluoro-7-methyl-3,6-dimethylideneocta-4,7-dien-1-ol.

Molecular Properties

Compound Name(4E)-4-fluoro-7-methyl-3,6-dimethylideneocta-4,7-dien-1-ol
PubChem CID144980618
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name(4E)-4-fluoro-7-methyl-3,6-dimethylideneocta-4,7-dien-1-ol
SMILESC=C(C)C(=C)/C=C(/F)C(=C)CCO
InChIInChI=1S/C11H15FO/c1-8(2)10(4)7-11(12)9(3)5-6-13/h7,13H,1,3-6H2,2H3/b11-7+
InChIKeyUKFLHHJXXHWBIK-YRNVUSSQSA-N
XLogP2.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R,3E)-5-methyl-2-prop-1-en-2-ylhexa-3,5-dien-1-ol
CID 162915795
5-Methyl-2-prop-1-en-2-ylhexa-3,5-dien-1-ol
CID 78385142
(3E,5E)-5-methylhepta-3,5-dien-1-ol
CID 11378495
(3Z)-3-methyl-3-octen-1-ol
CID 12180230
2-Cyclohexa-1,5-dien-1-ylethanol
CID 21943307
4-Fluoroocta-3,5,6-trien-1-ol
CID 57021227
6-Fluoronona-5,7,8-trien-1-ol
CID 57081783
5-Fluoroocta-4,6,7-trien-1-ol
CID 57248947
(2R)-1-(4-fluorocyclohexa-1,5-dien-1-yl)propan-2-ol
CID 67765367
(2E,3E,5E)-2-ethylidene-4-fluoroocta-3,5-dien-1-ol
CID 89207204
(E)-4-fluoro-2-methylidenepent-3-en-1-ol
CID 89400083
(3Z,5E)-5-fluoro-2-methylidenehepta-3,5-dien-1-ol
CID 89416424

Frequently Asked Questions

What is the IUPAC name of (4E)-4-fluoro-7-methyl-3,6-dimethylideneocta-4,7-dien-1-ol?
The IUPAC name of (4E)-4-fluoro-7-methyl-3,6-dimethylideneocta-4,7-dien-1-ol (CID 144980618) is (4E)-4-fluoro-7-methyl-3,6-dimethylideneocta-4,7-dien-1-ol.
What is the SMILES notation for (4E)-4-fluoro-7-methyl-3,6-dimethylideneocta-4,7-dien-1-ol?
The canonical SMILES for (4E)-4-fluoro-7-methyl-3,6-dimethylideneocta-4,7-dien-1-ol is C=C(C)C(=C)/C=C(/F)C(=C)CCO.
What is the InChIKey of (4E)-4-fluoro-7-methyl-3,6-dimethylideneocta-4,7-dien-1-ol?
The InChIKey is UKFLHHJXXHWBIK-YRNVUSSQSA-N. The full InChI is InChI=1S/C11H15FO/c1-8(2)10(4)7-11(12)9(3)5-6-13/h7,13H,1,3-6H2,2H3/b11-7+.
What are the key properties of (4E)-4-fluoro-7-methyl-3,6-dimethylideneocta-4,7-dien-1-ol?
(4E)-4-fluoro-7-methyl-3,6-dimethylideneocta-4,7-dien-1-ol has a molecular weight of 182.24 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-fluoro-7-methyl-3,6-dimethylideneocta-4,7-dien-1-ol is sourced from PubChem (CID 144980618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).