6-fluoro-3,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]dec-1-ene

C17H33FO — CID 174318861

IUPAC6-fluoro-3,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]dec-1-ene
SMILESC=C(OC(C)(C)C)C(C)C(C)CC(C)(F)CCCC
InChIInChI=1S/C17H33FO/c1-9-10-11-17(8,18)12-13(2)14(3)15(4)19-16(5,6)7/h13-14H,4,9-12H2,1-3,5-8H3
InChIKeyNNTPCLUEPMYRPO-UHFFFAOYSA-N
MW272.45 g/mol
LogP5.90
Rot. Bonds8

About 6-fluoro-3,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]dec-1-ene

6-fluoro-3,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]dec-1-ene (PubChem CID 174318861) has the molecular formula C17H33FO and a molecular weight of 272.45 g/mol. Its IUPAC name is 6-fluoro-3,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]dec-1-ene.

Molecular Properties

Compound Name6-fluoro-3,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]dec-1-ene
PubChem CID174318861
Molecular FormulaC17H33FO
Molecular Weight272.45 g/mol
Exact Mass272.25
IUPAC Name6-fluoro-3,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]dec-1-ene
SMILESC=C(OC(C)(C)C)C(C)C(C)CC(C)(F)CCCC
InChIInChI=1S/C17H33FO/c1-9-10-11-17(8,18)12-13(2)14(3)15(4)19-16(5,6)7/h13-14H,4,9-12H2,1-3,5-8H3
InChIKeyNNTPCLUEPMYRPO-UHFFFAOYSA-N
XLogP5.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.45
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]dec-1-ene?
The IUPAC name of 6-fluoro-3,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]dec-1-ene (CID 174318861) is 6-fluoro-3,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]dec-1-ene.
What is the SMILES notation for 6-fluoro-3,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]dec-1-ene?
The canonical SMILES for 6-fluoro-3,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]dec-1-ene is C=C(OC(C)(C)C)C(C)C(C)CC(C)(F)CCCC.
What is the InChIKey of 6-fluoro-3,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]dec-1-ene?
The InChIKey is NNTPCLUEPMYRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33FO/c1-9-10-11-17(8,18)12-13(2)14(3)15(4)19-16(5,6)7/h13-14H,4,9-12H2,1-3,5-8H3.
What are the key properties of 6-fluoro-3,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]dec-1-ene?
6-fluoro-3,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]dec-1-ene has a molecular weight of 272.45 g/mol, XLogP of 5.90, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]dec-1-ene is sourced from PubChem (CID 174318861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).