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

C30H43FO3 — CID 145122387

IUPACethene;(3Z,7E,11Z)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene;formaldehyde;prop-1-ene
SMILESC=C.C=C(/C=C\C(=C)C(=C)/C=C(/F)C(=C)C(=C)/C(=C\C(=C)OC)CCOC)CC.C=CC.C=O
InChIInChI=1S/C24H31FO2.C3H6.C2H4.CH2O/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;1-3-2;2*1-2/h11-12,15-16H,2-7,10,13-14H2,1,8-9H3;3H,1H2,2H3;1-2H2;1H2/b12-11-,23-16-,24-15+;;;
InChIKeyGFTVGKQHCXYRKI-IWMGUKKZSA-N
MW470.67 g/mol
LogP8.52
Rot. Bonds13

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

ethene;(3Z,7E,11Z)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene;formaldehyde;prop-1-ene (PubChem CID 145122387) has the molecular formula C30H43FO3 and a molecular weight of 470.67 g/mol. Its IUPAC name is ethene;(3Z,7E,11Z)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene;formaldehyde;prop-1-ene.

Molecular Properties

Compound Nameethene;(3Z,7E,11Z)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene;formaldehyde;prop-1-ene
PubChem CID145122387
Molecular FormulaC30H43FO3
Molecular Weight470.67 g/mol
Exact Mass470.32
IUPAC Nameethene;(3Z,7E,11Z)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene;formaldehyde;prop-1-ene
SMILESC=C.C=C(/C=C\C(=C)C(=C)/C=C(/F)C(=C)C(=C)/C(=C\C(=C)OC)CCOC)CC.C=CC.C=O
InChIInChI=1S/C24H31FO2.C3H6.C2H4.CH2O/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;1-3-2;2*1-2/h11-12,15-16H,2-7,10,13-14H2,1,8-9H3;3H,1H2,2H3;1-2H2;1H2/b12-11-,23-16-,24-15+;;;
InChIKeyGFTVGKQHCXYRKI-IWMGUKKZSA-N
XLogP8.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.67
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(3E,7E)-7-fluoro-2-methoxy-4-(methoxymethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;2-methylprop-2-enal
CID 145122260
[(3Z,7Z)-3-[(4Z)-3,6-dimethylideneocta-1,4-dien-2-yl]-9-methyl-5,6-dimethylidenedeca-3,7,9-trienyl] 2-methylprop-2-enoate
CID 145122786
acetaldehyde;(3Z,7Z,11Z)-2-methoxy-4-(3-methoxypropyl)-7,10,13-trimethyl-5,6,9-trimethylidenepentadeca-1,3,7,11-tetraene;prop-1-ene
CID 145122433
(3E,7Z)-5,6,9-trimethylidene-3-(trifluoromethyl)undeca-1,3,7-triene
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(3E,7Z)-4-(methoxymethyl)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene
CID 145122159
(4Z,8Z,12Z)-8,9-difluoro-3,6,7,10,11,14-hexamethylidenehexadeca-4,8,12-triene;ethane
CID 144604196
(5Z)-2-fluoro-3,4,7-trimethylidenenona-1,5-diene;hydrofluoride
CID 143773200
(3Z,7E)-7-fluoro-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol
CID 145234991
ethene;(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene
CID 145059823
(4Z,8Z,12Z)-8-ethyl-3,6,7,10,11,14-hexamethylidenehexadeca-4,8,12-triene;N-methyl-N-methylsulfanylmethanamine;propane
CID 145235020

Frequently Asked Questions

What is the IUPAC name of ethene;(3Z,7E,11Z)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene;formaldehyde;prop-1-ene?
The IUPAC name of ethene;(3Z,7E,11Z)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene;formaldehyde;prop-1-ene (CID 145122387) is ethene;(3Z,7E,11Z)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene;formaldehyde;prop-1-ene.
What is the SMILES notation for ethene;(3Z,7E,11Z)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene;formaldehyde;prop-1-ene?
The canonical SMILES for ethene;(3Z,7E,11Z)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene;formaldehyde;prop-1-ene is C=C.C=C(/C=C\C(=C)C(=C)/C=C(/F)C(=C)C(=C)/C(=C\C(=C)OC)CCOC)CC.C=CC.C=O.
What is the InChIKey of ethene;(3Z,7E,11Z)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene;formaldehyde;prop-1-ene?
The InChIKey is GFTVGKQHCXYRKI-IWMGUKKZSA-N. The full InChI is InChI=1S/C24H31FO2.C3H6.C2H4.CH2O/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;1-3-2;2*1-2/h11-12,15-16H,2-7,10,13-14H2,1,8-9H3;3H,1H2,2H3;1-2H2;1H2/b12-11-,23-16-,24-15+;;;.
What are the key properties of ethene;(3Z,7E,11Z)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene;formaldehyde;prop-1-ene?
ethene;(3Z,7E,11Z)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene;formaldehyde;prop-1-ene has a molecular weight of 470.67 g/mol, XLogP of 8.52, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(3Z,7E,11Z)-7-fluoro-2-methoxy-4-(2-methoxyethyl)-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene;formaldehyde;prop-1-ene is sourced from PubChem (CID 145122387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).