ethane;(3E,7E)-4-fluoro-8-(2-methoxyethoxy)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;formaldehyde;prop-1-ene

C24H39FO3 — CID 145121908

IUPACethane;(3E,7E)-4-fluoro-8-(2-methoxyethoxy)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;formaldehyde;prop-1-ene
SMILESC=C(C)/C=C(/F)C(=C)C(=C)/C=C(\OCCOC)C(=C)CC.C=CC.C=O.CC
InChIInChI=1S/C18H25FO2.C3H6.C2H6.CH2O/c1-8-14(4)18(21-10-9-20-7)12-15(5)16(6)17(19)11-13(2)3;1-3-2;2*1-2/h11-12H,2,4-6,8-10H2,1,3,7H3;3H,1H2,2H3;1-2H3;1H2/b17-11+,18-12+;;;
InChIKeyROIGHCKTKAAZHJ-MCRPVJKSSA-N
MW394.57 g/mol
LogP7.07
Rot. Bonds10

About ethane;(3E,7E)-4-fluoro-8-(2-methoxyethoxy)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;formaldehyde;prop-1-ene

ethane;(3E,7E)-4-fluoro-8-(2-methoxyethoxy)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;formaldehyde;prop-1-ene (PubChem CID 145121908) has the molecular formula C24H39FO3 and a molecular weight of 394.57 g/mol. Its IUPAC name is ethane;(3E,7E)-4-fluoro-8-(2-methoxyethoxy)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;formaldehyde;prop-1-ene.

Molecular Properties

Compound Nameethane;(3E,7E)-4-fluoro-8-(2-methoxyethoxy)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;formaldehyde;prop-1-ene
PubChem CID145121908
Molecular FormulaC24H39FO3
Molecular Weight394.57 g/mol
Exact Mass394.29
IUPAC Nameethane;(3E,7E)-4-fluoro-8-(2-methoxyethoxy)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;formaldehyde;prop-1-ene
SMILESC=C(C)/C=C(/F)C(=C)C(=C)/C=C(\OCCOC)C(=C)CC.C=CC.C=O.CC
InChIInChI=1S/C18H25FO2.C3H6.C2H6.CH2O/c1-8-14(4)18(21-10-9-20-7)12-15(5)16(6)17(19)11-13(2)3;1-3-2;2*1-2/h11-12H,2,4-6,8-10H2,1,3,7H3;3H,1H2,2H3;1-2H3;1H2/b17-11+,18-12+;;;
InChIKeyROIGHCKTKAAZHJ-MCRPVJKSSA-N
XLogP7.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.57
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3Z,7Z,11E)-3,4,12-trifluoro-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-14-(2-propoxypropoxy)pentadeca-1,3,7,11-tetraene
CID 143772799
(3Z,7Z,11E)-2-but-3-enoxy-14-(2-butoxypropoxy)-3,4,12-trifluoro-5,6,9,10,13-pentamethylidenepentadeca-1,3,7,11-tetraene
CID 143773128
2-[(4E,8E,12Z)-8-fluoro-14-methyl-3,6,7,10,11-pentamethylidenepentadeca-4,8,12,14-tetraen-4-yl]oxyethyl prop-2-enoate
CID 145122461
2-[(4E,8E)-8-fluoro-10-methyl-3,6,7-trimethylideneundeca-4,8,10-trien-4-yl]oxyethyl prop-2-enoate
CID 145122528
(3E,5Z)-3-(fluoromethyl)-4-(2-methoxyethoxy)octa-3,5-diene
CID 145498388
(2E,4E)-4-[2-(2-fluoropropoxy)ethoxy]-3-methoxy-6-methylideneocta-2,4-diene
CID 155119673
(3Z)-3-fluoro-4-(2-methoxyethoxy)-6-methyl-5-methylidenehepta-1,3-diene
CID 176700998
(3E)-2-fluoro-4-(2-methoxyethoxy)-6-methyl-5-methylidenehepta-1,3-diene
CID 176701211
(3Z,7Z,11E)-3,4,12-trifluoro-14-(2-methoxypropoxy)-5,6,9,10,13-pentamethylidene-2-prop-2-enoxypentadeca-1,3,7,11-tetraene
CID 143772798
(3E,7E)-4-fluoro-8-(2-methoxyethoxy)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene
CID 145121909
(4E,8E,12Z)-8-fluoro-4-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidenehexadeca-4,8,12-triene
CID 145121954
2-[(4E,8E)-8-fluoro-10-methyl-3,6,7-trimethylideneundeca-4,8,10-trien-5-yl]oxyethyl formate
CID 145122447

Frequently Asked Questions

What is the IUPAC name of ethane;(3E,7E)-4-fluoro-8-(2-methoxyethoxy)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;formaldehyde;prop-1-ene?
The IUPAC name of ethane;(3E,7E)-4-fluoro-8-(2-methoxyethoxy)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;formaldehyde;prop-1-ene (CID 145121908) is ethane;(3E,7E)-4-fluoro-8-(2-methoxyethoxy)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;formaldehyde;prop-1-ene.
What is the SMILES notation for ethane;(3E,7E)-4-fluoro-8-(2-methoxyethoxy)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;formaldehyde;prop-1-ene?
The canonical SMILES for ethane;(3E,7E)-4-fluoro-8-(2-methoxyethoxy)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;formaldehyde;prop-1-ene is C=C(C)/C=C(/F)C(=C)C(=C)/C=C(\OCCOC)C(=C)CC.C=CC.C=O.CC.
What is the InChIKey of ethane;(3E,7E)-4-fluoro-8-(2-methoxyethoxy)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;formaldehyde;prop-1-ene?
The InChIKey is ROIGHCKTKAAZHJ-MCRPVJKSSA-N. The full InChI is InChI=1S/C18H25FO2.C3H6.C2H6.CH2O/c1-8-14(4)18(21-10-9-20-7)12-15(5)16(6)17(19)11-13(2)3;1-3-2;2*1-2/h11-12H,2,4-6,8-10H2,1,3,7H3;3H,1H2,2H3;1-2H3;1H2/b17-11+,18-12+;;;.
What are the key properties of ethane;(3E,7E)-4-fluoro-8-(2-methoxyethoxy)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;formaldehyde;prop-1-ene?
ethane;(3E,7E)-4-fluoro-8-(2-methoxyethoxy)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;formaldehyde;prop-1-ene has a molecular weight of 394.57 g/mol, XLogP of 7.07, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E,7E)-4-fluoro-8-(2-methoxyethoxy)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;formaldehyde;prop-1-ene is sourced from PubChem (CID 145121908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).