(E)-2,2-difluoro-9-methyl-1-propan-2-yloxydec-3-ene

C14H26F2O — CID 58275582

IUPAC(E)-2,2-difluoro-9-methyl-1-propan-2-yloxydec-3-ene
SMILESCC(C)CCCC/C=C/C(F)(F)COC(C)C
InChIInChI=1S/C14H26F2O/c1-12(2)9-7-5-6-8-10-14(15,16)11-17-13(3)4/h8,10,12-13H,5-7,9,11H2,1-4H3/b10-8+
InChIKeyQTPIHMOKDYWYTL-CSKARUKUSA-N
MW248.36 g/mol
LogP4.82
Rot. Bonds9

About (E)-2,2-difluoro-9-methyl-1-propan-2-yloxydec-3-ene

(E)-2,2-difluoro-9-methyl-1-propan-2-yloxydec-3-ene (PubChem CID 58275582) has the molecular formula C14H26F2O and a molecular weight of 248.36 g/mol. Its IUPAC name is (E)-2,2-difluoro-9-methyl-1-propan-2-yloxydec-3-ene.

Molecular Properties

Compound Name(E)-2,2-difluoro-9-methyl-1-propan-2-yloxydec-3-ene
PubChem CID58275582
Molecular FormulaC14H26F2O
Molecular Weight248.36 g/mol
Exact Mass248.20
IUPAC Name(E)-2,2-difluoro-9-methyl-1-propan-2-yloxydec-3-ene
SMILESCC(C)CCCC/C=C/C(F)(F)COC(C)C
InChIInChI=1S/C14H26F2O/c1-12(2)9-7-5-6-8-10-14(15,16)11-17-13(3)4/h8,10,12-13H,5-7,9,11H2,1-4H3/b10-8+
InChIKeyQTPIHMOKDYWYTL-CSKARUKUSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 54.82
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)-2,2-difluoro-9-methyl-1-propan-2-yloxydec-3-ene?
The IUPAC name of (E)-2,2-difluoro-9-methyl-1-propan-2-yloxydec-3-ene (CID 58275582) is (E)-2,2-difluoro-9-methyl-1-propan-2-yloxydec-3-ene.
What is the SMILES notation for (E)-2,2-difluoro-9-methyl-1-propan-2-yloxydec-3-ene?
The canonical SMILES for (E)-2,2-difluoro-9-methyl-1-propan-2-yloxydec-3-ene is CC(C)CCCC/C=C/C(F)(F)COC(C)C.
What is the InChIKey of (E)-2,2-difluoro-9-methyl-1-propan-2-yloxydec-3-ene?
The InChIKey is QTPIHMOKDYWYTL-CSKARUKUSA-N. The full InChI is InChI=1S/C14H26F2O/c1-12(2)9-7-5-6-8-10-14(15,16)11-17-13(3)4/h8,10,12-13H,5-7,9,11H2,1-4H3/b10-8+.
What are the key properties of (E)-2,2-difluoro-9-methyl-1-propan-2-yloxydec-3-ene?
(E)-2,2-difluoro-9-methyl-1-propan-2-yloxydec-3-ene has a molecular weight of 248.36 g/mol, XLogP of 4.82, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2-difluoro-9-methyl-1-propan-2-yloxydec-3-ene is sourced from PubChem (CID 58275582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).