(2E,4E)-5-fluoro-7-methyl-6-methylideneocta-2,4-dien-3-ol

C10H15FO — CID 143740775

IUPAC(2E,4E)-5-fluoro-7-methyl-6-methylideneocta-2,4-dien-3-ol
SMILESC=C(/C(F)=C\C(O)=C/C)C(C)C
InChIInChI=1S/C10H15FO/c1-5-9(12)6-10(11)8(4)7(2)3/h5-7,12H,4H2,1-3H3/b9-5+,10-6+
InChIKeyJQJNKBXLVQCMBL-NXZHAISVSA-N
MW170.23 g/mol
LogP3.51
Rot. Bonds3

About (2E,4E)-5-fluoro-7-methyl-6-methylideneocta-2,4-dien-3-ol

(2E,4E)-5-fluoro-7-methyl-6-methylideneocta-2,4-dien-3-ol (PubChem CID 143740775) has the molecular formula C10H15FO and a molecular weight of 170.23 g/mol. Its IUPAC name is (2E,4E)-5-fluoro-7-methyl-6-methylideneocta-2,4-dien-3-ol.

Molecular Properties

Compound Name(2E,4E)-5-fluoro-7-methyl-6-methylideneocta-2,4-dien-3-ol
PubChem CID143740775
Molecular FormulaC10H15FO
Molecular Weight170.23 g/mol
Exact Mass170.11
IUPAC Name(2E,4E)-5-fluoro-7-methyl-6-methylideneocta-2,4-dien-3-ol
SMILESC=C(/C(F)=C\C(O)=C/C)C(C)C
InChIInChI=1S/C10H15FO/c1-5-9(12)6-10(11)8(4)7(2)3/h5-7,12H,4H2,1-3H3/b9-5+,10-6+
InChIKeyJQJNKBXLVQCMBL-NXZHAISVSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E)-5-fluoro-7-methyl-6-methylideneocta-2,4-dien-3-ol with MolForge

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Related Compounds

1,5-Cyclohexadien-1-OL, 6-methyl-3-(1-methylethenyl)-
CID 45082895
(3Z,5E)-5-fluoro-8-methylnona-1,3,5,8-tetraen-2-ol
CID 88583275
3-Fluoro-5-methylcyclohexa-1,5-dien-1-ol
CID 88988420
4-Fluoro-6-methylcyclohexa-1,5-dien-1-ol
CID 89265195
5-Fluoro-4-methylcyclohexa-1,5-dien-1-ol
CID 89277391
(Z,1E)-1-[6-ethenylidene-4-(fluoromethyl)cyclohexa-2,4-dien-1-ylidene]but-2-en-1-ol
CID 89292335
(3E,5E)-7,7-difluoro-6-methylocta-1,3,5-trien-4-ol
CID 89301063
(4S)-6-fluoro-3,4-dimethylcyclohexa-1,5-dien-1-ol
CID 89362308
(4Z,6Z,8E)-8-fluorodeca-1,4,6,8-tetraen-5-ol
CID 89403049
2,4-Difluoro-3,4,6-trimethylcyclohexa-1,5-dien-1-ol
CID 89738731
(4E,6E)-7-fluoro-2,8-dimethylnona-4,6,8-trien-4-ol
CID 89864983
2-Fluoro-3-propylcyclobuta-1,3-dien-1-ol
CID 117969636

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-fluoro-7-methyl-6-methylideneocta-2,4-dien-3-ol?
The IUPAC name of (2E,4E)-5-fluoro-7-methyl-6-methylideneocta-2,4-dien-3-ol (CID 143740775) is (2E,4E)-5-fluoro-7-methyl-6-methylideneocta-2,4-dien-3-ol.
What is the SMILES notation for (2E,4E)-5-fluoro-7-methyl-6-methylideneocta-2,4-dien-3-ol?
The canonical SMILES for (2E,4E)-5-fluoro-7-methyl-6-methylideneocta-2,4-dien-3-ol is C=C(/C(F)=C\C(O)=C/C)C(C)C.
What is the InChIKey of (2E,4E)-5-fluoro-7-methyl-6-methylideneocta-2,4-dien-3-ol?
The InChIKey is JQJNKBXLVQCMBL-NXZHAISVSA-N. The full InChI is InChI=1S/C10H15FO/c1-5-9(12)6-10(11)8(4)7(2)3/h5-7,12H,4H2,1-3H3/b9-5+,10-6+.
What are the key properties of (2E,4E)-5-fluoro-7-methyl-6-methylideneocta-2,4-dien-3-ol?
(2E,4E)-5-fluoro-7-methyl-6-methylideneocta-2,4-dien-3-ol has a molecular weight of 170.23 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-fluoro-7-methyl-6-methylideneocta-2,4-dien-3-ol is sourced from PubChem (CID 143740775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).