2-methyl-5-(4,4,5,5-tetrafluoro-6-methyl-3-methylidenehept-6-enyl)oxane

C15H22F4O — CID 144809541

IUPAC2-methyl-5-(4,4,5,5-tetrafluoro-6-methyl-3-methylidenehept-6-enyl)oxane
SMILESC=C(C)C(F)(F)C(F)(F)C(=C)CCC1CCC(C)OC1
InChIInChI=1S/C15H22F4O/c1-10(2)14(16,17)15(18,19)11(3)5-7-13-8-6-12(4)20-9-13/h12-13H,1,3,5-9H2,2,4H3
InChIKeyHLCHMWLHMJQNLS-UHFFFAOYSA-N
MW294.33 g/mol
LogP4.98
Rot. Bonds6

About 2-methyl-5-(4,4,5,5-tetrafluoro-6-methyl-3-methylidenehept-6-enyl)oxane

2-methyl-5-(4,4,5,5-tetrafluoro-6-methyl-3-methylidenehept-6-enyl)oxane (PubChem CID 144809541) has the molecular formula C15H22F4O and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-methyl-5-(4,4,5,5-tetrafluoro-6-methyl-3-methylidenehept-6-enyl)oxane.

Molecular Properties

Compound Name2-methyl-5-(4,4,5,5-tetrafluoro-6-methyl-3-methylidenehept-6-enyl)oxane
PubChem CID144809541
Molecular FormulaC15H22F4O
Molecular Weight294.33 g/mol
Exact Mass294.16
IUPAC Name2-methyl-5-(4,4,5,5-tetrafluoro-6-methyl-3-methylidenehept-6-enyl)oxane
SMILESC=C(C)C(F)(F)C(F)(F)C(=C)CCC1CCC(C)OC1
InChIInChI=1S/C15H22F4O/c1-10(2)14(16,17)15(18,19)11(3)5-7-13-8-6-12(4)20-9-13/h12-13H,1,3,5-9H2,2,4H3
InChIKeyHLCHMWLHMJQNLS-UHFFFAOYSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

tetrahydro-4-methylene-2-(2-methylpropyl)-2H-pyran
CID 108399
2-[4-(3,3-Difluoroprop-2-enyl)cyclohexyl]-5-methyloxane
CID 20599571
2,2-Difluoro-3-methyl-6-[2-(4-methylcyclohex-3-en-1-yl)ethyl]oxane
CID 54430411
2-[4-(Difluoromethylidene)cyclohexyl]-5-methyloxane
CID 57987751
(3R,4S,5S,6R)-2-(difluoromethylidene)-6-ethyl-3,4,5-trimethyloxane
CID 60138929
2,2-Difluoro-3,7-dimethyl-3,4,4a,5,8,8a-hexahydrochromene
CID 70837499
4-(3-Fluoro-4-methylpent-1-en-2-yl)oxane
CID 89053233
1-(1-Butoxyethenyl)-4-(2,2,3,3,3-pentafluoropropyl)cyclohexane
CID 117746158
2-[4-(Difluoromethylidene)cyclohexyl]-5-propyloxane
CID 118601403
5-[2-(4-Ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)ethyl]-2-propyloxane
CID 121476192
5-(4-Fluoropentyl)-2-methylideneoxane
CID 126704984
2-Methyl-5-(5,5,6,6-tetrafluoro-4-methylcyclohexa-1,3-dien-1-yl)oxane
CID 137537814

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4,4,5,5-tetrafluoro-6-methyl-3-methylidenehept-6-enyl)oxane?
The IUPAC name of 2-methyl-5-(4,4,5,5-tetrafluoro-6-methyl-3-methylidenehept-6-enyl)oxane (CID 144809541) is 2-methyl-5-(4,4,5,5-tetrafluoro-6-methyl-3-methylidenehept-6-enyl)oxane.
What is the SMILES notation for 2-methyl-5-(4,4,5,5-tetrafluoro-6-methyl-3-methylidenehept-6-enyl)oxane?
The canonical SMILES for 2-methyl-5-(4,4,5,5-tetrafluoro-6-methyl-3-methylidenehept-6-enyl)oxane is C=C(C)C(F)(F)C(F)(F)C(=C)CCC1CCC(C)OC1.
What is the InChIKey of 2-methyl-5-(4,4,5,5-tetrafluoro-6-methyl-3-methylidenehept-6-enyl)oxane?
The InChIKey is HLCHMWLHMJQNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F4O/c1-10(2)14(16,17)15(18,19)11(3)5-7-13-8-6-12(4)20-9-13/h12-13H,1,3,5-9H2,2,4H3.
What are the key properties of 2-methyl-5-(4,4,5,5-tetrafluoro-6-methyl-3-methylidenehept-6-enyl)oxane?
2-methyl-5-(4,4,5,5-tetrafluoro-6-methyl-3-methylidenehept-6-enyl)oxane has a molecular weight of 294.33 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4,4,5,5-tetrafluoro-6-methyl-3-methylidenehept-6-enyl)oxane is sourced from PubChem (CID 144809541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).