(1E)-1-[1-(fluoromethoxy)-2-methylprop-2-enylidene]-4-methyl-2-methylidenecyclohexane

C13H19FO — CID 145151759

IUPAC(1E)-1-[1-(fluoromethoxy)-2-methylprop-2-enylidene]-4-methyl-2-methylidenecyclohexane
SMILESC=C1CC(C)CC/C1=C(\OCF)C(=C)C
InChIInChI=1S/C13H19FO/c1-9(2)13(15-8-14)12-6-5-10(3)7-11(12)4/h10H,1,4-8H2,2-3H3/b13-12+
InChIKeyKHGHZUHJAYPBFT-OUKQBFOZSA-N
MW210.29 g/mol
LogP4.14
Rot. Bonds3

About (1E)-1-[1-(fluoromethoxy)-2-methylprop-2-enylidene]-4-methyl-2-methylidenecyclohexane

(1E)-1-[1-(fluoromethoxy)-2-methylprop-2-enylidene]-4-methyl-2-methylidenecyclohexane (PubChem CID 145151759) has the molecular formula C13H19FO and a molecular weight of 210.29 g/mol. Its IUPAC name is (1E)-1-[1-(fluoromethoxy)-2-methylprop-2-enylidene]-4-methyl-2-methylidenecyclohexane.

Molecular Properties

Compound Name(1E)-1-[1-(fluoromethoxy)-2-methylprop-2-enylidene]-4-methyl-2-methylidenecyclohexane
PubChem CID145151759
Molecular FormulaC13H19FO
Molecular Weight210.29 g/mol
Exact Mass210.14
IUPAC Name(1E)-1-[1-(fluoromethoxy)-2-methylprop-2-enylidene]-4-methyl-2-methylidenecyclohexane
SMILESC=C1CC(C)CC/C1=C(\OCF)C(=C)C
InChIInChI=1S/C13H19FO/c1-9(2)13(15-8-14)12-6-5-10(3)7-11(12)4/h10H,1,4-8H2,2-3H3/b13-12+
InChIKeyKHGHZUHJAYPBFT-OUKQBFOZSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Fluoro-2-methoxy-5-(2-methylpropyl)cyclohexa-1,3-diene
CID 59432808
[(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-yl]cyclohexane
CID 126727563
[(3E,5E)-3-fluoro-6-methoxyhepta-1,3,5-trien-4-yl]cyclohexane
CID 134465870
3-(Difluoromethoxy)-1-(2-methylpropyl)cyclohexa-1,3-diene
CID 143502312
5-(4-Ethenylcyclohexen-1-yl)-1,6-difluoro-2-methoxycyclohexa-1,3-diene
CID 143612329
1-[(1E,3E,5Z)-4-ethoxy-5,6-difluorohexa-1,3,5-trienyl]-4-methylcyclohexane
CID 143799471
(3Z)-3,4-difluoro-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3-diene
CID 144164050
1-[(4Z)-4,5-difluoro-6-methoxy-3-methylidenehepta-4,6-dienyl]-4-propylcyclohexane
CID 145222926
(3Z)-2-ethoxy-3,4-difluoro-6-methyl-5-methylidenedeca-1,3-diene
CID 145585690
4-Ethyl-1-fluoro-2-methoxy-6-methylcyclohexa-1,3-diene
CID 167208204
4-Fluoro-2-methoxy-1-propan-2-ylcyclohexa-1,3-diene
CID 178026771
[(1Z,3E)-4-fluoro-2-methoxyhepta-1,3,5,6-tetraenyl]cyclohexane
CID 141933667

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[1-(fluoromethoxy)-2-methylprop-2-enylidene]-4-methyl-2-methylidenecyclohexane?
The IUPAC name of (1E)-1-[1-(fluoromethoxy)-2-methylprop-2-enylidene]-4-methyl-2-methylidenecyclohexane (CID 145151759) is (1E)-1-[1-(fluoromethoxy)-2-methylprop-2-enylidene]-4-methyl-2-methylidenecyclohexane.
What is the SMILES notation for (1E)-1-[1-(fluoromethoxy)-2-methylprop-2-enylidene]-4-methyl-2-methylidenecyclohexane?
The canonical SMILES for (1E)-1-[1-(fluoromethoxy)-2-methylprop-2-enylidene]-4-methyl-2-methylidenecyclohexane is C=C1CC(C)CC/C1=C(\OCF)C(=C)C.
What is the InChIKey of (1E)-1-[1-(fluoromethoxy)-2-methylprop-2-enylidene]-4-methyl-2-methylidenecyclohexane?
The InChIKey is KHGHZUHJAYPBFT-OUKQBFOZSA-N. The full InChI is InChI=1S/C13H19FO/c1-9(2)13(15-8-14)12-6-5-10(3)7-11(12)4/h10H,1,4-8H2,2-3H3/b13-12+.
What are the key properties of (1E)-1-[1-(fluoromethoxy)-2-methylprop-2-enylidene]-4-methyl-2-methylidenecyclohexane?
(1E)-1-[1-(fluoromethoxy)-2-methylprop-2-enylidene]-4-methyl-2-methylidenecyclohexane has a molecular weight of 210.29 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[1-(fluoromethoxy)-2-methylprop-2-enylidene]-4-methyl-2-methylidenecyclohexane is sourced from PubChem (CID 145151759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).