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

Name: 6-fluoro-3,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]dec-1-ene — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₃₃FO — CID 174318861

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	6-fluoro-3,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]dec-1-ene
PubChem CID	174318861
Molecular Formula	C₁₇H₃₃FO
Molecular Weight	272.45 g/mol
Exact Mass	272.25
IUPAC Name	6-fluoro-3,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]dec-1-ene
SMILES	C=C(OC(C)(C)C)C(C)C(C)CC(C)(F)CCCC
InChI	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
InChIKey	NNTPCLUEPMYRPO-UHFFFAOYSA-N
XLogP	5.90
TPSA	9.23 Å²
H-Bond Donors
H-Bond Acceptors	1
Rotatable Bonds	8
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	272.45
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

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).

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Sources

PubChem CID 174318861 — identifiers, structure, computed properties (public domain)

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