(E)-3,3-difluoro-2,9,9-trimethyl-10-propan-2-yloxydec-4-ene

C16H30F2O — CID 58275586

IUPAC(E)-3,3-difluoro-2,9,9-trimethyl-10-propan-2-yloxydec-4-ene
SMILESCC(C)OCC(C)(C)CCC/C=C/C(F)(F)C(C)C
InChIInChI=1S/C16H30F2O/c1-13(2)16(17,18)11-9-7-8-10-15(5,6)12-19-14(3)4/h9,11,13-14H,7-8,10,12H2,1-6H3/b11-9+
InChIKeyMRCUHCXCUVGDKJ-PKNBQFBNSA-N
MW276.41 g/mol
LogP5.46
Rot. Bonds9

About (E)-3,3-difluoro-2,9,9-trimethyl-10-propan-2-yloxydec-4-ene

(E)-3,3-difluoro-2,9,9-trimethyl-10-propan-2-yloxydec-4-ene (PubChem CID 58275586) has the molecular formula C16H30F2O and a molecular weight of 276.41 g/mol. Its IUPAC name is (E)-3,3-difluoro-2,9,9-trimethyl-10-propan-2-yloxydec-4-ene.

Molecular Properties

Compound Name(E)-3,3-difluoro-2,9,9-trimethyl-10-propan-2-yloxydec-4-ene
PubChem CID58275586
Molecular FormulaC16H30F2O
Molecular Weight276.41 g/mol
Exact Mass276.23
IUPAC Name(E)-3,3-difluoro-2,9,9-trimethyl-10-propan-2-yloxydec-4-ene
SMILESCC(C)OCC(C)(C)CCC/C=C/C(F)(F)C(C)C
InChIInChI=1S/C16H30F2O/c1-13(2)16(17,18)11-9-7-8-10-15(5,6)12-19-14(3)4/h9,11,13-14H,7-8,10,12H2,1-6H3/b11-9+
InChIKeyMRCUHCXCUVGDKJ-PKNBQFBNSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.41
LogP ≤ 55.46
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 (E)-3,3-difluoro-2,9,9-trimethyl-10-propan-2-yloxydec-4-ene?
The IUPAC name of (E)-3,3-difluoro-2,9,9-trimethyl-10-propan-2-yloxydec-4-ene (CID 58275586) is (E)-3,3-difluoro-2,9,9-trimethyl-10-propan-2-yloxydec-4-ene.
What is the SMILES notation for (E)-3,3-difluoro-2,9,9-trimethyl-10-propan-2-yloxydec-4-ene?
The canonical SMILES for (E)-3,3-difluoro-2,9,9-trimethyl-10-propan-2-yloxydec-4-ene is CC(C)OCC(C)(C)CCC/C=C/C(F)(F)C(C)C.
What is the InChIKey of (E)-3,3-difluoro-2,9,9-trimethyl-10-propan-2-yloxydec-4-ene?
The InChIKey is MRCUHCXCUVGDKJ-PKNBQFBNSA-N. The full InChI is InChI=1S/C16H30F2O/c1-13(2)16(17,18)11-9-7-8-10-15(5,6)12-19-14(3)4/h9,11,13-14H,7-8,10,12H2,1-6H3/b11-9+.
What are the key properties of (E)-3,3-difluoro-2,9,9-trimethyl-10-propan-2-yloxydec-4-ene?
(E)-3,3-difluoro-2,9,9-trimethyl-10-propan-2-yloxydec-4-ene has a molecular weight of 276.41 g/mol, XLogP of 5.46, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,3-difluoro-2,9,9-trimethyl-10-propan-2-yloxydec-4-ene is sourced from PubChem (CID 58275586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).