(3Z,7E)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene

C17H23FO2 — CID 145122776

IUPAC(3Z,7E)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
SMILESC=C(C)/C=C(/F)C(=C)C(=C)/C(=C\C(=C)OC)CCOC
InChIInChI=1S/C17H23FO2/c1-12(2)10-17(18)15(5)14(4)16(8-9-19-6)11-13(3)20-7/h10-11H,1,3-5,8-9H2,2,6-7H3/b16-11-,17-10+
InChIKeyYGLFLTBXKSAENW-KQRVFROYSA-N
MW278.37 g/mol
LogP4.65
Rot. Bonds9

About (3Z,7E)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene

(3Z,7E)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene (PubChem CID 145122776) has the molecular formula C17H23FO2 and a molecular weight of 278.37 g/mol. Its IUPAC name is (3Z,7E)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene.

Molecular Properties

Compound Name(3Z,7E)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
PubChem CID145122776
Molecular FormulaC17H23FO2
Molecular Weight278.37 g/mol
Exact Mass278.17
IUPAC Name(3Z,7E)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
SMILESC=C(C)/C=C(/F)C(=C)C(=C)/C(=C\C(=C)OC)CCOC
InChIInChI=1S/C17H23FO2/c1-12(2)10-17(18)15(5)14(4)16(8-9-19-6)11-13(3)20-7/h10-11H,1,3-5,8-9H2,2,6-7H3/b16-11-,17-10+
InChIKeyYGLFLTBXKSAENW-KQRVFROYSA-N
XLogP4.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 54.65
H-Bond Donors ≤ 50
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,7E)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene with MolForge

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Related Compounds

2-[[(5S)-decan-5-yl]oxymethyl]-5-fluorocyclohexa-1,3-diene
CID 122432431
(4E)-5-fluoro-2-methyl-8-(3-methylbuta-1,3-dien-2-yloxy)-3,6-dimethylideneocta-1,4-diene
CID 144902482
(3Z,7Z)-3,4,7,8-tetrafluoro-2,11-dimethoxy-5,6,9-trimethylideneundeca-1,3,7-triene
CID 145420647
(3E,4Z,8Z,10E)-3-ethylidene-10-fluoro-2-methoxy-4,9-dimethyl-6,7-dimethylidenetrideca-1,4,8,10-tetraene
CID 146564216
(3Z)-3-[(2E)-3-(fluoromethoxy)-4-methylpenta-2,4-dienylidene]oxepane
CID 167079765
2-Fluoro-4-(1-methoxyethenyl)-1-methylcyclohexa-1,3-diene
CID 169859685
(3E)-3-fluoro-2,8-dimethoxy-6-methyl-5-methylideneocta-1,3-diene
CID 172276448
(6E,7Z,11Z)-7-ethyl-6-ethylidene-8-fluoro-3-methyl-5-prop-2-enoxytrideca-1,4,7,11-tetraene
CID 173949939
1-(1-Butoxyethenyl)cyclopentene
CID 14296313
carbon monoxide;[1-(6-methyl-3,4-dihydro-2H-pyran-5-yl)-2-[(2E)-penta-2,4-dienoxy]ethylidene]molybdenum
CID 135047606
(2E,4E,6E,8Z)-4-ethoxy-5-[(E)-1-ethoxybut-2-en-2-yl]-10-fluoro-6-prop-2-enylidenedeca-2,4,8-triene
CID 144334413
1-[(3E,5Z)-7-ethoxy-3-(ethoxymethyl)-5-methylhepta-1,3,5-trien-2-yl]-4-fluorocyclohepta-1,3,5-triene
CID 144334736

Frequently Asked Questions

What is the IUPAC name of (3Z,7E)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene?
The IUPAC name of (3Z,7E)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene (CID 145122776) is (3Z,7E)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene.
What is the SMILES notation for (3Z,7E)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene?
The canonical SMILES for (3Z,7E)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene is C=C(C)/C=C(/F)C(=C)C(=C)/C(=C\C(=C)OC)CCOC.
What is the InChIKey of (3Z,7E)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene?
The InChIKey is YGLFLTBXKSAENW-KQRVFROYSA-N. The full InChI is InChI=1S/C17H23FO2/c1-12(2)10-17(18)15(5)14(4)16(8-9-19-6)11-13(3)20-7/h10-11H,1,3-5,8-9H2,2,6-7H3/b16-11-,17-10+.
What are the key properties of (3Z,7E)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene?
(3Z,7E)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene has a molecular weight of 278.37 g/mol, XLogP of 4.65, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7E)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene is sourced from PubChem (CID 145122776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).