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

C16H21FO2 — CID 145122261

IUPAC(3E,7E)-7-fluoro-2-methoxy-4-(methoxymethyl)-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)COC
InChIInChI=1S/C16H21FO2/c1-11(2)8-16(17)14(5)13(4)15(10-18-6)9-12(3)19-7/h8-9H,1,3-5,10H2,2,6-7H3/b15-9-,16-8+
InChIKeyWCQPAPPZTMLRRL-ANFWGNMCSA-N
MW264.34 g/mol
LogP4.26
Rot. Bonds8

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

(3E,7E)-7-fluoro-2-methoxy-4-(methoxymethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene (PubChem CID 145122261) has the molecular formula C16H21FO2 and a molecular weight of 264.34 g/mol. Its IUPAC name is (3E,7E)-7-fluoro-2-methoxy-4-(methoxymethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene.

Molecular Properties

Compound Name(3E,7E)-7-fluoro-2-methoxy-4-(methoxymethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
PubChem CID145122261
Molecular FormulaC16H21FO2
Molecular Weight264.34 g/mol
Exact Mass264.15
IUPAC Name(3E,7E)-7-fluoro-2-methoxy-4-(methoxymethyl)-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)COC
InChIInChI=1S/C16H21FO2/c1-11(2)8-16(17)14(5)13(4)15(10-18-6)9-12(3)19-7/h8-9H,1,3-5,10H2,2,6-7H3/b15-9-,16-8+
InChIKeyWCQPAPPZTMLRRL-ANFWGNMCSA-N
XLogP4.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 54.26
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'}

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Frequently Asked Questions

What is the IUPAC name of (3E,7E)-7-fluoro-2-methoxy-4-(methoxymethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene?
The IUPAC name of (3E,7E)-7-fluoro-2-methoxy-4-(methoxymethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene (CID 145122261) is (3E,7E)-7-fluoro-2-methoxy-4-(methoxymethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene.
What is the SMILES notation for (3E,7E)-7-fluoro-2-methoxy-4-(methoxymethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene?
The canonical SMILES for (3E,7E)-7-fluoro-2-methoxy-4-(methoxymethyl)-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)COC.
What is the InChIKey of (3E,7E)-7-fluoro-2-methoxy-4-(methoxymethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene?
The InChIKey is WCQPAPPZTMLRRL-ANFWGNMCSA-N. The full InChI is InChI=1S/C16H21FO2/c1-11(2)8-16(17)14(5)13(4)15(10-18-6)9-12(3)19-7/h8-9H,1,3-5,10H2,2,6-7H3/b15-9-,16-8+.
What are the key properties of (3E,7E)-7-fluoro-2-methoxy-4-(methoxymethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene?
(3E,7E)-7-fluoro-2-methoxy-4-(methoxymethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene has a molecular weight of 264.34 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7E)-7-fluoro-2-methoxy-4-(methoxymethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene is sourced from PubChem (CID 145122261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).