1-(2,2-difluoro-3-methylbut-3-enoxy)-5,6-dimethyl-4-(2-methylpropyl)oct-2-ene

C19H34F2O — CID 91102503

IUPAC1-(2,2-difluoro-3-methylbut-3-enoxy)-5,6-dimethyl-4-(2-methylpropyl)oct-2-ene
SMILESC=C(C)C(F)(F)COCC=CC(CC(C)C)C(C)C(C)CC
InChIInChI=1S/C19H34F2O/c1-8-16(6)17(7)18(12-14(2)3)10-9-11-22-13-19(20,21)15(4)5/h9-10,14,16-18H,4,8,11-13H2,1-3,5-7H3
InChIKeyDFQWPQIKLKLYDO-UHFFFAOYSA-N
MW316.48 g/mol
LogP6.12
Rot. Bonds11

About 1-(2,2-difluoro-3-methylbut-3-enoxy)-5,6-dimethyl-4-(2-methylpropyl)oct-2-ene

1-(2,2-difluoro-3-methylbut-3-enoxy)-5,6-dimethyl-4-(2-methylpropyl)oct-2-ene (PubChem CID 91102503) has the molecular formula C19H34F2O and a molecular weight of 316.48 g/mol. Its IUPAC name is 1-(2,2-difluoro-3-methylbut-3-enoxy)-5,6-dimethyl-4-(2-methylpropyl)oct-2-ene.

Molecular Properties

Compound Name1-(2,2-difluoro-3-methylbut-3-enoxy)-5,6-dimethyl-4-(2-methylpropyl)oct-2-ene
PubChem CID91102503
Molecular FormulaC19H34F2O
Molecular Weight316.48 g/mol
Exact Mass316.26
IUPAC Name1-(2,2-difluoro-3-methylbut-3-enoxy)-5,6-dimethyl-4-(2-methylpropyl)oct-2-ene
SMILESC=C(C)C(F)(F)COCC=CC(CC(C)C)C(C)C(C)CC
InChIInChI=1S/C19H34F2O/c1-8-16(6)17(7)18(12-14(2)3)10-9-11-22-13-19(20,21)15(4)5/h9-10,14,16-18H,4,8,11-13H2,1-3,5-7H3
InChIKeyDFQWPQIKLKLYDO-UHFFFAOYSA-N
XLogP6.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.48
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-3-methylbut-3-enoxy)-5,6-dimethyl-4-(2-methylpropyl)oct-2-ene?
The IUPAC name of 1-(2,2-difluoro-3-methylbut-3-enoxy)-5,6-dimethyl-4-(2-methylpropyl)oct-2-ene (CID 91102503) is 1-(2,2-difluoro-3-methylbut-3-enoxy)-5,6-dimethyl-4-(2-methylpropyl)oct-2-ene.
What is the SMILES notation for 1-(2,2-difluoro-3-methylbut-3-enoxy)-5,6-dimethyl-4-(2-methylpropyl)oct-2-ene?
The canonical SMILES for 1-(2,2-difluoro-3-methylbut-3-enoxy)-5,6-dimethyl-4-(2-methylpropyl)oct-2-ene is C=C(C)C(F)(F)COCC=CC(CC(C)C)C(C)C(C)CC.
What is the InChIKey of 1-(2,2-difluoro-3-methylbut-3-enoxy)-5,6-dimethyl-4-(2-methylpropyl)oct-2-ene?
The InChIKey is DFQWPQIKLKLYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34F2O/c1-8-16(6)17(7)18(12-14(2)3)10-9-11-22-13-19(20,21)15(4)5/h9-10,14,16-18H,4,8,11-13H2,1-3,5-7H3.
What are the key properties of 1-(2,2-difluoro-3-methylbut-3-enoxy)-5,6-dimethyl-4-(2-methylpropyl)oct-2-ene?
1-(2,2-difluoro-3-methylbut-3-enoxy)-5,6-dimethyl-4-(2-methylpropyl)oct-2-ene has a molecular weight of 316.48 g/mol, XLogP of 6.12, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-3-methylbut-3-enoxy)-5,6-dimethyl-4-(2-methylpropyl)oct-2-ene is sourced from PubChem (CID 91102503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).