(3Z,7E,11Z)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene

C24H31FO2 — CID 145122388

IUPAC(3Z,7E,11Z)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene
SMILESC=C(/C=C\C(=C)C(=C)/C=C(/F)C(=C)C(=C)/C(=C\C(=C)OC)CCOC)CC
InChIInChI=1S/C24H31FO2/c1-10-17(2)11-12-18(3)19(4)15-24(25)22(7)21(6)23(13-14-26-8)16-20(5)27-9/h11-12,15-16H,2-7,10,13-14H2,1,8-9H3/b12-11-,23-16-,24-15+
InChIKeyNZXPLYJDAZOKOX-HIZCDICOSA-N
MW370.51 g/mol
LogP6.71
Rot. Bonds13

About (3Z,7E,11Z)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene

(3Z,7E,11Z)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene (PubChem CID 145122388) has the molecular formula C24H31FO2 and a molecular weight of 370.51 g/mol. Its IUPAC name is (3Z,7E,11Z)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene.

Molecular Properties

Compound Name(3Z,7E,11Z)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene
PubChem CID145122388
Molecular FormulaC24H31FO2
Molecular Weight370.51 g/mol
Exact Mass370.23
IUPAC Name(3Z,7E,11Z)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene
SMILESC=C(/C=C\C(=C)C(=C)/C=C(/F)C(=C)C(=C)/C(=C\C(=C)OC)CCOC)CC
InChIInChI=1S/C24H31FO2/c1-10-17(2)11-12-18(3)19(4)15-24(25)22(7)21(6)23(13-14-26-8)16-20(5)27-9/h11-12,15-16H,2-7,10,13-14H2,1,8-9H3/b12-11-,23-16-,24-15+
InChIKeyNZXPLYJDAZOKOX-HIZCDICOSA-N
XLogP6.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.51
LogP ≤ 56.71
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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Related Compounds

2-[[(5S)-decan-5-yl]oxymethyl]-5-fluorocyclohexa-1,3-diene
CID 122432431
4-Ethenyl-3-ethylidene-2-(1-fluoroethoxy)hexa-1,4-diene
CID 123931875
(3Z,5Z)-4-ethyl-2-(2-fluoro-2-methylbutoxy)-3-prop-1-en-2-ylhepta-1,3,5-triene
CID 126711027
(3Z,7E,11Z)-7-fluoro-2,13-dimethoxy-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene
CID 145380881
(3E,4Z,8Z,10E)-3-ethylidene-10-fluoro-2-methoxy-4,9-dimethyl-6,7-dimethylidenetrideca-1,4,8,10-tetraene
CID 146564216
(E)-1-[(3Z,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]oxydec-4-ene
CID 156304770
(3Z)-3-[(2E)-3-(fluoromethoxy)-4-methylpenta-2,4-dienylidene]oxepane
CID 167079765
(3E,7Z)-3-fluoro-5,6-dimethylidene-9-octoxydeca-1,3,7,9-tetraen-2-ol
CID 169298065
2-Fluoro-4-(1-methoxyethenyl)-1-methylcyclohexa-1,3-diene
CID 169859685
(6E,7Z,11Z)-7-ethyl-6-ethylidene-8-fluoro-3-methyl-5-prop-2-enoxytrideca-1,4,7,11-tetraene
CID 173949939
(2E,5E,8Z)-1,1,1-trifluoro-2-methyl-6-[[(2Z,5Z)-5-prop-1-en-2-ylnona-2,5-dien-3-yl]oxymethyl]deca-2,5,8-triene
CID 173949941
(1Z,3Z,7Z)-1,2-difluoro-7-(1-methoxyethenyl)deca-1,3,7,9-tetraene
CID 174245774

Frequently Asked Questions

What is the IUPAC name of (3Z,7E,11Z)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene?
The IUPAC name of (3Z,7E,11Z)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene (CID 145122388) is (3Z,7E,11Z)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene.
What is the SMILES notation for (3Z,7E,11Z)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene?
The canonical SMILES for (3Z,7E,11Z)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene is C=C(/C=C\C(=C)C(=C)/C=C(/F)C(=C)C(=C)/C(=C\C(=C)OC)CCOC)CC.
What is the InChIKey of (3Z,7E,11Z)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene?
The InChIKey is NZXPLYJDAZOKOX-HIZCDICOSA-N. The full InChI is InChI=1S/C24H31FO2/c1-10-17(2)11-12-18(3)19(4)15-24(25)22(7)21(6)23(13-14-26-8)16-20(5)27-9/h11-12,15-16H,2-7,10,13-14H2,1,8-9H3/b12-11-,23-16-,24-15+.
What are the key properties of (3Z,7E,11Z)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene?
(3Z,7E,11Z)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene has a molecular weight of 370.51 g/mol, XLogP of 6.71, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7E,11Z)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene is sourced from PubChem (CID 145122388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).