[2-methyl-6-methylidene-4-(2,2,2-trifluoroethoxy)octa-2,4-dienyl]cyclopropane

C15H21F3O — CID 91103722

IUPAC[2-methyl-6-methylidene-4-(2,2,2-trifluoroethoxy)octa-2,4-dienyl]cyclopropane
SMILESC=C(C=C(C=C(C)CC1CC1)OCC(F)(F)F)CC
InChIInChI=1S/C15H21F3O/c1-4-11(2)8-14(19-10-15(16,17)18)9-12(3)7-13-5-6-13/h8-9,13H,2,4-7,10H2,1,3H3
InChIKeyYMXOHEBTUYVWJE-UHFFFAOYSA-N
MW274.33 g/mol
LogP5.16
Rot. Bonds7

About [2-methyl-6-methylidene-4-(2,2,2-trifluoroethoxy)octa-2,4-dienyl]cyclopropane

[2-methyl-6-methylidene-4-(2,2,2-trifluoroethoxy)octa-2,4-dienyl]cyclopropane (PubChem CID 91103722) has the molecular formula C15H21F3O and a molecular weight of 274.33 g/mol. Its IUPAC name is [2-methyl-6-methylidene-4-(2,2,2-trifluoroethoxy)octa-2,4-dienyl]cyclopropane.

Molecular Properties

Compound Name[2-methyl-6-methylidene-4-(2,2,2-trifluoroethoxy)octa-2,4-dienyl]cyclopropane
PubChem CID91103722
Molecular FormulaC15H21F3O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name[2-methyl-6-methylidene-4-(2,2,2-trifluoroethoxy)octa-2,4-dienyl]cyclopropane
SMILESC=C(C=C(C=C(C)CC1CC1)OCC(F)(F)F)CC
InChIInChI=1S/C15H21F3O/c1-4-11(2)8-14(19-10-15(16,17)18)9-12(3)7-13-5-6-13/h8-9,13H,2,4-7,10H2,1,3H3
InChIKeyYMXOHEBTUYVWJE-UHFFFAOYSA-N
XLogP5.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.33
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclopropyl-2-(difluoromethoxy)cyclohexa-1,3-diene
CID 70288749
6-[(Z)-1-fluoroprop-1-enyl]-5-[(E)-2-fluoroprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 71070397
(6R)-1-(cyclopropylmethoxy)-6-(3,3-difluoropropyl)-3-methylcyclohexa-1,3-diene
CID 71243209
(3Z,5Z)-2-(difluoromethoxy)-5-ethylidene-7-methylnona-1,3-diene
CID 88267604
[(2Z,4E)-4-(1,1-difluorobutoxy)-6-fluorohepta-2,4,6-trienyl]cyclopropane
CID 88953819
5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethenyl)-3-methyl-3,4-dihydro-2H-pyran
CID 89247362
6-[(Z)-3-fluoro-2-methylbut-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran
CID 89247420
5-ethyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247475
2-Cyclopropyl-1-methyl-3-(2,2,2-trifluoroethoxy)cyclohepta-1,3,5-triene
CID 90924062
8-Methyl-1-propan-2-yl-4-(2,2,2-trifluoroethoxy)cycloocta-1,3,5-triene
CID 91033486
4-(2,2-Difluoroethoxy)-1-hexan-2-ylcyclohepta-1,3,5-triene
CID 91198045
3-(2,2-Difluorobutoxy)-7-methyl-6-methylideneocta-2,4-diene
CID 91231528

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-methylidene-4-(2,2,2-trifluoroethoxy)octa-2,4-dienyl]cyclopropane?
The IUPAC name of [2-methyl-6-methylidene-4-(2,2,2-trifluoroethoxy)octa-2,4-dienyl]cyclopropane (CID 91103722) is [2-methyl-6-methylidene-4-(2,2,2-trifluoroethoxy)octa-2,4-dienyl]cyclopropane.
What is the SMILES notation for [2-methyl-6-methylidene-4-(2,2,2-trifluoroethoxy)octa-2,4-dienyl]cyclopropane?
The canonical SMILES for [2-methyl-6-methylidene-4-(2,2,2-trifluoroethoxy)octa-2,4-dienyl]cyclopropane is C=C(C=C(C=C(C)CC1CC1)OCC(F)(F)F)CC.
What is the InChIKey of [2-methyl-6-methylidene-4-(2,2,2-trifluoroethoxy)octa-2,4-dienyl]cyclopropane?
The InChIKey is YMXOHEBTUYVWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3O/c1-4-11(2)8-14(19-10-15(16,17)18)9-12(3)7-13-5-6-13/h8-9,13H,2,4-7,10H2,1,3H3.
What are the key properties of [2-methyl-6-methylidene-4-(2,2,2-trifluoroethoxy)octa-2,4-dienyl]cyclopropane?
[2-methyl-6-methylidene-4-(2,2,2-trifluoroethoxy)octa-2,4-dienyl]cyclopropane has a molecular weight of 274.33 g/mol, XLogP of 5.16, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-methylidene-4-(2,2,2-trifluoroethoxy)octa-2,4-dienyl]cyclopropane is sourced from PubChem (CID 91103722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).