(3Z)-3-(tert-butylsulfinylmethylidene)-4-methylhexane

C12H24OS — CID 123607209

IUPAC(3Z)-3-(tert-butylsulfinylmethylidene)-4-methylhexane
SMILESCC/C(=C/S(=O)C(C)(C)C)C(C)CC
InChIInChI=1S/C12H24OS/c1-7-10(3)11(8-2)9-14(13)12(4,5)6/h9-10H,7-8H2,1-6H3/b11-9-
InChIKeyOEZLWZSDBSZIME-LUAWRHEFSA-N
MW216.39 g/mol
LogP3.87
Rot. Bonds4

About (3Z)-3-(tert-butylsulfinylmethylidene)-4-methylhexane

(3Z)-3-(tert-butylsulfinylmethylidene)-4-methylhexane (PubChem CID 123607209) has the molecular formula C12H24OS and a molecular weight of 216.39 g/mol. Its IUPAC name is (3Z)-3-(tert-butylsulfinylmethylidene)-4-methylhexane.

Molecular Properties

Compound Name(3Z)-3-(tert-butylsulfinylmethylidene)-4-methylhexane
PubChem CID123607209
Molecular FormulaC12H24OS
Molecular Weight216.39 g/mol
Exact Mass216.15
IUPAC Name(3Z)-3-(tert-butylsulfinylmethylidene)-4-methylhexane
SMILESCC/C(=C/S(=O)C(C)(C)C)C(C)CC
InChIInChI=1S/C12H24OS/c1-7-10(3)11(8-2)9-14(13)12(4,5)6/h9-10H,7-8H2,1-6H3/b11-9-
InChIKeyOEZLWZSDBSZIME-LUAWRHEFSA-N
XLogP3.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(tert-butylsulfinylmethylidene)-4-methylhexane?
The IUPAC name of (3Z)-3-(tert-butylsulfinylmethylidene)-4-methylhexane (CID 123607209) is (3Z)-3-(tert-butylsulfinylmethylidene)-4-methylhexane.
What is the SMILES notation for (3Z)-3-(tert-butylsulfinylmethylidene)-4-methylhexane?
The canonical SMILES for (3Z)-3-(tert-butylsulfinylmethylidene)-4-methylhexane is CC/C(=C/S(=O)C(C)(C)C)C(C)CC.
What is the InChIKey of (3Z)-3-(tert-butylsulfinylmethylidene)-4-methylhexane?
The InChIKey is OEZLWZSDBSZIME-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H24OS/c1-7-10(3)11(8-2)9-14(13)12(4,5)6/h9-10H,7-8H2,1-6H3/b11-9-.
What are the key properties of (3Z)-3-(tert-butylsulfinylmethylidene)-4-methylhexane?
(3Z)-3-(tert-butylsulfinylmethylidene)-4-methylhexane has a molecular weight of 216.39 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(tert-butylsulfinylmethylidene)-4-methylhexane is sourced from PubChem (CID 123607209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).