(E)-8-ethyl-3,3-difluoro-2,2-dimethyl-8-(propan-2-yloxymethyl)dec-4-ene

C18H34F2O — CID 58275573

IUPAC(E)-8-ethyl-3,3-difluoro-2,2-dimethyl-8-(propan-2-yloxymethyl)dec-4-ene
SMILESCCC(CC)(CC/C=C/C(F)(F)C(C)(C)C)COC(C)C
InChIInChI=1S/C18H34F2O/c1-8-17(9-2,14-21-15(3)4)12-10-11-13-18(19,20)16(5,6)7/h11,13,15H,8-10,12,14H2,1-7H3/b13-11+
InChIKeyPHHRQPQEQULIIS-ACCUITESSA-N
MW304.47 g/mol
LogP6.24
Rot. Bonds9

About (E)-8-ethyl-3,3-difluoro-2,2-dimethyl-8-(propan-2-yloxymethyl)dec-4-ene

(E)-8-ethyl-3,3-difluoro-2,2-dimethyl-8-(propan-2-yloxymethyl)dec-4-ene (PubChem CID 58275573) has the molecular formula C18H34F2O and a molecular weight of 304.47 g/mol. Its IUPAC name is (E)-8-ethyl-3,3-difluoro-2,2-dimethyl-8-(propan-2-yloxymethyl)dec-4-ene.

Molecular Properties

Compound Name(E)-8-ethyl-3,3-difluoro-2,2-dimethyl-8-(propan-2-yloxymethyl)dec-4-ene
PubChem CID58275573
Molecular FormulaC18H34F2O
Molecular Weight304.47 g/mol
Exact Mass304.26
IUPAC Name(E)-8-ethyl-3,3-difluoro-2,2-dimethyl-8-(propan-2-yloxymethyl)dec-4-ene
SMILESCCC(CC)(CC/C=C/C(F)(F)C(C)(C)C)COC(C)C
InChIInChI=1S/C18H34F2O/c1-8-17(9-2,14-21-15(3)4)12-10-11-13-18(19,20)16(5,6)7/h11,13,15H,8-10,12,14H2,1-7H3/b13-11+
InChIKeyPHHRQPQEQULIIS-ACCUITESSA-N
XLogP6.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-8-ethyl-3,3-difluoro-2,2-dimethyl-8-(propan-2-yloxymethyl)dec-4-ene?
The IUPAC name of (E)-8-ethyl-3,3-difluoro-2,2-dimethyl-8-(propan-2-yloxymethyl)dec-4-ene (CID 58275573) is (E)-8-ethyl-3,3-difluoro-2,2-dimethyl-8-(propan-2-yloxymethyl)dec-4-ene.
What is the SMILES notation for (E)-8-ethyl-3,3-difluoro-2,2-dimethyl-8-(propan-2-yloxymethyl)dec-4-ene?
The canonical SMILES for (E)-8-ethyl-3,3-difluoro-2,2-dimethyl-8-(propan-2-yloxymethyl)dec-4-ene is CCC(CC)(CC/C=C/C(F)(F)C(C)(C)C)COC(C)C.
What is the InChIKey of (E)-8-ethyl-3,3-difluoro-2,2-dimethyl-8-(propan-2-yloxymethyl)dec-4-ene?
The InChIKey is PHHRQPQEQULIIS-ACCUITESSA-N. The full InChI is InChI=1S/C18H34F2O/c1-8-17(9-2,14-21-15(3)4)12-10-11-13-18(19,20)16(5,6)7/h11,13,15H,8-10,12,14H2,1-7H3/b13-11+.
What are the key properties of (E)-8-ethyl-3,3-difluoro-2,2-dimethyl-8-(propan-2-yloxymethyl)dec-4-ene?
(E)-8-ethyl-3,3-difluoro-2,2-dimethyl-8-(propan-2-yloxymethyl)dec-4-ene has a molecular weight of 304.47 g/mol, XLogP of 6.24, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-ethyl-3,3-difluoro-2,2-dimethyl-8-(propan-2-yloxymethyl)dec-4-ene is sourced from PubChem (CID 58275573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).