2-methyl-5-[[(3Z,7Z)-3,4,7,8-tetrafluoro-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]oxymethyl]oxane

C20H24F4O2 — CID 145301366

IUPAC2-methyl-5-[[(3Z,7Z)-3,4,7,8-tetrafluoro-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]oxymethyl]oxane
SMILESC=C(C)/C(F)=C(/F)C(=C)C(=C)/C(F)=C(\F)C(=C)OCC1CCC(C)OC1
InChIInChI=1S/C20H24F4O2/c1-11(2)17(21)18(22)13(4)14(5)19(23)20(24)15(6)26-10-16-8-7-12(3)25-9-16/h12,16H,1,4-10H2,2-3H3/b18-17-,20-19-
InChIKeyMTMHDOPJTIYFDN-RXGVRZIVSA-N
MW372.40 g/mol
LogP6.32
Rot. Bonds8

About 2-methyl-5-[[(3Z,7Z)-3,4,7,8-tetrafluoro-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]oxymethyl]oxane

2-methyl-5-[[(3Z,7Z)-3,4,7,8-tetrafluoro-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]oxymethyl]oxane (PubChem CID 145301366) has the molecular formula C20H24F4O2 and a molecular weight of 372.40 g/mol. Its IUPAC name is 2-methyl-5-[[(3Z,7Z)-3,4,7,8-tetrafluoro-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]oxymethyl]oxane.

Molecular Properties

Compound Name2-methyl-5-[[(3Z,7Z)-3,4,7,8-tetrafluoro-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]oxymethyl]oxane
PubChem CID145301366
Molecular FormulaC20H24F4O2
Molecular Weight372.40 g/mol
Exact Mass372.17
IUPAC Name2-methyl-5-[[(3Z,7Z)-3,4,7,8-tetrafluoro-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]oxymethyl]oxane
SMILESC=C(C)/C(F)=C(/F)C(=C)C(=C)/C(F)=C(\F)C(=C)OCC1CCC(C)OC1
InChIInChI=1S/C20H24F4O2/c1-11(2)17(21)18(22)13(4)14(5)19(23)20(24)15(6)26-10-16-8-7-12(3)25-9-16/h12,16H,1,4-10H2,2-3H3/b18-17-,20-19-
InChIKeyMTMHDOPJTIYFDN-RXGVRZIVSA-N
XLogP6.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.40
LogP ≤ 56.32
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 2-methyl-5-[[(3Z,7Z)-3,4,7,8-tetrafluoro-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]oxymethyl]oxane with MolForge

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Related Compounds

1-[[(3Z)-3,4-difluoro-5-[(4-methylcyclohexyl)methoxy]hexa-1,3,5-trien-2-yl]oxymethyl]-4-methylcyclohexane;ethane
CID 143291818
1-[[(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]-4-methylcyclohexane
CID 143286437
1-[[(3Z)-3,4-difluoro-5-methylidenehepta-1,3-dien-2-yl]oxymethyl]-4-propylcyclohexane
CID 145027741
[4-[(2-methyloxan-4-yl)methoxycarbonyloxymethyl]cyclohexyl]methyl (6-methyloxan-3-yl)methyl carbonate
CID 143933568
(3Z)-5-(cyclohexylmethoxy)-3,4-difluorohexa-1,3,5-trien-2-ol
CID 126727548
1-[[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]-4-ethylcyclohexane
CID 143291802
(6-methyloxan-3-yl) 2-methylprop-2-enoate
CID 129192147
(3S,6R)-6-methyloxan-3-amine
CID 130197714
(4-methylcyclohexyl)methyl 2-methylprop-2-enoate
CID 22737447
7-oxabicyclo[4.1.0]heptan-3-ylmethyl 6-methyloxane-3-carboxylate
CID 129054969
1-[(4Z)-4,5-difluoro-6-methyl-3-methylidenehepta-4,6-dienyl]-4-ethylcyclohexane
CID 143959577
2-[[4-[(2-hydroxycyclohexyl)oxymethyl]cyclohexyl]methoxy]cyclohexan-1-ol;bis(2-methyloxirane)
CID 91181772

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(3Z,7Z)-3,4,7,8-tetrafluoro-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]oxymethyl]oxane?
The IUPAC name of 2-methyl-5-[[(3Z,7Z)-3,4,7,8-tetrafluoro-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]oxymethyl]oxane (CID 145301366) is 2-methyl-5-[[(3Z,7Z)-3,4,7,8-tetrafluoro-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]oxymethyl]oxane.
What is the SMILES notation for 2-methyl-5-[[(3Z,7Z)-3,4,7,8-tetrafluoro-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]oxymethyl]oxane?
The canonical SMILES for 2-methyl-5-[[(3Z,7Z)-3,4,7,8-tetrafluoro-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]oxymethyl]oxane is C=C(C)/C(F)=C(/F)C(=C)C(=C)/C(F)=C(\F)C(=C)OCC1CCC(C)OC1.
What is the InChIKey of 2-methyl-5-[[(3Z,7Z)-3,4,7,8-tetrafluoro-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]oxymethyl]oxane?
The InChIKey is MTMHDOPJTIYFDN-RXGVRZIVSA-N. The full InChI is InChI=1S/C20H24F4O2/c1-11(2)17(21)18(22)13(4)14(5)19(23)20(24)15(6)26-10-16-8-7-12(3)25-9-16/h12,16H,1,4-10H2,2-3H3/b18-17-,20-19-.
What are the key properties of 2-methyl-5-[[(3Z,7Z)-3,4,7,8-tetrafluoro-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]oxymethyl]oxane?
2-methyl-5-[[(3Z,7Z)-3,4,7,8-tetrafluoro-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]oxymethyl]oxane has a molecular weight of 372.40 g/mol, XLogP of 6.32, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[(3Z,7Z)-3,4,7,8-tetrafluoro-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]oxymethyl]oxane is sourced from PubChem (CID 145301366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).