(3Z,5E)-3-(2-fluoroethyl)-6-methoxy-5,7-dimethylnona-3,5-dien-1-ol

C14H25FO2 — CID 166671027

IUPAC(3Z,5E)-3-(2-fluoroethyl)-6-methoxy-5,7-dimethylnona-3,5-dien-1-ol
SMILESCCC(C)/C(OC)=C(C)\C=C(\CCO)CCF
InChIInChI=1S/C14H25FO2/c1-5-11(2)14(17-4)12(3)10-13(6-8-15)7-9-16/h10-11,16H,5-9H2,1-4H3/b13-10+,14-12+
InChIKeyAFEWIKCKMDXXNY-ADWQEOMMSA-N
MW244.35 g/mol
LogP3.62
Rot. Bonds8

About (3Z,5E)-3-(2-fluoroethyl)-6-methoxy-5,7-dimethylnona-3,5-dien-1-ol

(3Z,5E)-3-(2-fluoroethyl)-6-methoxy-5,7-dimethylnona-3,5-dien-1-ol (PubChem CID 166671027) has the molecular formula C14H25FO2 and a molecular weight of 244.35 g/mol. Its IUPAC name is (3Z,5E)-3-(2-fluoroethyl)-6-methoxy-5,7-dimethylnona-3,5-dien-1-ol.

Molecular Properties

Compound Name(3Z,5E)-3-(2-fluoroethyl)-6-methoxy-5,7-dimethylnona-3,5-dien-1-ol
PubChem CID166671027
Molecular FormulaC14H25FO2
Molecular Weight244.35 g/mol
Exact Mass244.18
IUPAC Name(3Z,5E)-3-(2-fluoroethyl)-6-methoxy-5,7-dimethylnona-3,5-dien-1-ol
SMILESCCC(C)/C(OC)=C(C)\C=C(\CCO)CCF
InChIInChI=1S/C14H25FO2/c1-5-11(2)14(17-4)12(3)10-13(6-8-15)7-9-16/h10-11,16H,5-9H2,1-4H3/b13-10+,14-12+
InChIKeyAFEWIKCKMDXXNY-ADWQEOMMSA-N
XLogP3.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z,5E)-3-(2-fluoroethyl)-6-methoxy-5,7-dimethylnona-3,5-dien-1-ol with MolForge

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Related Compounds

[4-(4-Fluorocyclohexa-2,4-dien-1-yl)-5-methoxycyclohexa-2,4-dien-1-yl]methanol
CID 71179468
4-Ethylidene-6-fluoro-3-methyloct-5-en-1-ol
CID 123175117
(E,3Z)-3-ethylidene-5-(trifluoromethoxy)hex-4-en-1-ol
CID 130445466
2-[(E,2Z)-2-ethylidene-4-(trifluoromethoxy)hex-3-enyl]butane-1,3-diol
CID 145481342
2-(5-Fluoro-2-methoxycyclohexa-2,4-dien-1-yl)ethanol
CID 163596927
(3E,5E)-3-ethyl-2,2-difluoroocta-3,5-diene-1,6-diol
CID 163685509
[(4R,5E,7E,9Z)-8,9-difluoro-5-methyl-3,4-dihydro-2H-oxecin-4-yl]methanol
CID 166823959
(2-Methoxy-5-methylcyclohexa-2,4-dien-1-yl)methanol
CID 14446832
2-[[4-(Trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethyl]butan-1-ol
CID 162550543
1-[4-Methyl-5-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]pentan-2-ol
CID 162552835
(4E,6Z)-3,7-dimethyldeca-4,6-diene-2,4-diol
CID 89393236
(3E,6E,8E)-6-ethyl-9-methoxydeca-3,6,8-trien-4-ol
CID 144280586

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-3-(2-fluoroethyl)-6-methoxy-5,7-dimethylnona-3,5-dien-1-ol?
The IUPAC name of (3Z,5E)-3-(2-fluoroethyl)-6-methoxy-5,7-dimethylnona-3,5-dien-1-ol (CID 166671027) is (3Z,5E)-3-(2-fluoroethyl)-6-methoxy-5,7-dimethylnona-3,5-dien-1-ol.
What is the SMILES notation for (3Z,5E)-3-(2-fluoroethyl)-6-methoxy-5,7-dimethylnona-3,5-dien-1-ol?
The canonical SMILES for (3Z,5E)-3-(2-fluoroethyl)-6-methoxy-5,7-dimethylnona-3,5-dien-1-ol is CCC(C)/C(OC)=C(C)\C=C(\CCO)CCF.
What is the InChIKey of (3Z,5E)-3-(2-fluoroethyl)-6-methoxy-5,7-dimethylnona-3,5-dien-1-ol?
The InChIKey is AFEWIKCKMDXXNY-ADWQEOMMSA-N. The full InChI is InChI=1S/C14H25FO2/c1-5-11(2)14(17-4)12(3)10-13(6-8-15)7-9-16/h10-11,16H,5-9H2,1-4H3/b13-10+,14-12+.
What are the key properties of (3Z,5E)-3-(2-fluoroethyl)-6-methoxy-5,7-dimethylnona-3,5-dien-1-ol?
(3Z,5E)-3-(2-fluoroethyl)-6-methoxy-5,7-dimethylnona-3,5-dien-1-ol has a molecular weight of 244.35 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-3-(2-fluoroethyl)-6-methoxy-5,7-dimethylnona-3,5-dien-1-ol is sourced from PubChem (CID 166671027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).