(6-ethenyl-2,6,8,8-tetramethyl-3-methylidenenonan-2-yl) thiohypofluorite

C16H29FS — CID 139563625

IUPAC(6-ethenyl-2,6,8,8-tetramethyl-3-methylidenenonan-2-yl) thiohypofluorite
SMILESC=CC(C)(CCC(=C)C(C)(C)SF)CC(C)(C)C
InChIInChI=1S/C16H29FS/c1-9-16(8,12-14(3,4)5)11-10-13(2)15(6,7)18-17/h9H,1-2,10-12H2,3-8H3
InChIKeyGFAXVLVVRBZVKO-UHFFFAOYSA-N
MW272.47 g/mol
LogP6.35
Rot. Bonds7

About (6-ethenyl-2,6,8,8-tetramethyl-3-methylidenenonan-2-yl) thiohypofluorite

(6-ethenyl-2,6,8,8-tetramethyl-3-methylidenenonan-2-yl) thiohypofluorite (PubChem CID 139563625) has the molecular formula C16H29FS and a molecular weight of 272.47 g/mol. Its IUPAC name is (6-ethenyl-2,6,8,8-tetramethyl-3-methylidenenonan-2-yl) thiohypofluorite.

Molecular Properties

Compound Name(6-ethenyl-2,6,8,8-tetramethyl-3-methylidenenonan-2-yl) thiohypofluorite
PubChem CID139563625
Molecular FormulaC16H29FS
Molecular Weight272.47 g/mol
Exact Mass272.20
IUPAC Name(6-ethenyl-2,6,8,8-tetramethyl-3-methylidenenonan-2-yl) thiohypofluorite
SMILESC=CC(C)(CCC(=C)C(C)(C)SF)CC(C)(C)C
InChIInChI=1S/C16H29FS/c1-9-16(8,12-14(3,4)5)11-10-13(2)15(6,7)18-17/h9H,1-2,10-12H2,3-8H3
InChIKeyGFAXVLVVRBZVKO-UHFFFAOYSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.47
LogP ≤ 56.35
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 (6-ethenyl-2,6,8,8-tetramethyl-3-methylidenenonan-2-yl) thiohypofluorite?
The IUPAC name of (6-ethenyl-2,6,8,8-tetramethyl-3-methylidenenonan-2-yl) thiohypofluorite (CID 139563625) is (6-ethenyl-2,6,8,8-tetramethyl-3-methylidenenonan-2-yl) thiohypofluorite.
What is the SMILES notation for (6-ethenyl-2,6,8,8-tetramethyl-3-methylidenenonan-2-yl) thiohypofluorite?
The canonical SMILES for (6-ethenyl-2,6,8,8-tetramethyl-3-methylidenenonan-2-yl) thiohypofluorite is C=CC(C)(CCC(=C)C(C)(C)SF)CC(C)(C)C.
What is the InChIKey of (6-ethenyl-2,6,8,8-tetramethyl-3-methylidenenonan-2-yl) thiohypofluorite?
The InChIKey is GFAXVLVVRBZVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29FS/c1-9-16(8,12-14(3,4)5)11-10-13(2)15(6,7)18-17/h9H,1-2,10-12H2,3-8H3.
What are the key properties of (6-ethenyl-2,6,8,8-tetramethyl-3-methylidenenonan-2-yl) thiohypofluorite?
(6-ethenyl-2,6,8,8-tetramethyl-3-methylidenenonan-2-yl) thiohypofluorite has a molecular weight of 272.47 g/mol, XLogP of 6.35, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethenyl-2,6,8,8-tetramethyl-3-methylidenenonan-2-yl) thiohypofluorite is sourced from PubChem (CID 139563625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).