2,3,5,5-tetramethyl-4-methylidene-1-methylsulfanylhexane

C12H24S — CID 134232897

IUPAC2,3,5,5-tetramethyl-4-methylidene-1-methylsulfanylhexane
SMILESC=C(C(C)C(C)CSC)C(C)(C)C
InChIInChI=1S/C12H24S/c1-9(8-13-7)10(2)11(3)12(4,5)6/h9-10H,3,8H2,1-2,4-7H3
InChIKeyPFEBYYFBFDUYSK-UHFFFAOYSA-N
MW200.39 g/mol
LogP4.22
Rot. Bonds4

About 2,3,5,5-tetramethyl-4-methylidene-1-methylsulfanylhexane

2,3,5,5-tetramethyl-4-methylidene-1-methylsulfanylhexane (PubChem CID 134232897) has the molecular formula C12H24S and a molecular weight of 200.39 g/mol. Its IUPAC name is 2,3,5,5-tetramethyl-4-methylidene-1-methylsulfanylhexane.

Molecular Properties

Compound Name2,3,5,5-tetramethyl-4-methylidene-1-methylsulfanylhexane
PubChem CID134232897
Molecular FormulaC12H24S
Molecular Weight200.39 g/mol
Exact Mass200.16
IUPAC Name2,3,5,5-tetramethyl-4-methylidene-1-methylsulfanylhexane
SMILESC=C(C(C)C(C)CSC)C(C)(C)C
InChIInChI=1S/C12H24S/c1-9(8-13-7)10(2)11(3)12(4,5)6/h9-10H,3,8H2,1-2,4-7H3
InChIKeyPFEBYYFBFDUYSK-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.39
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Ethenyl-3-methyl-4-prop-1-en-2-ylthiolane
CID 177866087
2,3,3-Trimethyl-4-methylsulfanyl-4-propylsulfanylhept-1-ene
CID 134930251
4-Ethylsulfanyl-2,3,3-trimethyl-4-methylsulfanylhex-1-ene
CID 134986735
2,5-Dimethyl-6-methylsulfanyl-4-(trifluoromethyl)hex-1-ene
CID 162565819
2,2-ditert-butyl-3H-thiophene
CID 12386075
3-(3,3-Dimethylbutan-2-ylsulfanyl)-2,4,4-trimethylpent-1-ene
CID 57660034
3,3-di(propan-2-yl)-2H-thiophene
CID 58055896
3,3-Di(propan-2-yl)-2,4-dihydrothiopyran
CID 58055924
4,4-Di(propan-2-yl)-2,3-dihydrothiopyran
CID 58055974
4-tert-butyl-3,4-dihydro-2H-thiopyran
CID 58408014
4-Tert-butyl-2-methylidenethiolane
CID 58416246
2,3-di(propan-2-yl)-3,4-dihydro-2H-thiopyran
CID 58469207

Frequently Asked Questions

What is the IUPAC name of 2,3,5,5-tetramethyl-4-methylidene-1-methylsulfanylhexane?
The IUPAC name of 2,3,5,5-tetramethyl-4-methylidene-1-methylsulfanylhexane (CID 134232897) is 2,3,5,5-tetramethyl-4-methylidene-1-methylsulfanylhexane.
What is the SMILES notation for 2,3,5,5-tetramethyl-4-methylidene-1-methylsulfanylhexane?
The canonical SMILES for 2,3,5,5-tetramethyl-4-methylidene-1-methylsulfanylhexane is C=C(C(C)C(C)CSC)C(C)(C)C.
What is the InChIKey of 2,3,5,5-tetramethyl-4-methylidene-1-methylsulfanylhexane?
The InChIKey is PFEBYYFBFDUYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24S/c1-9(8-13-7)10(2)11(3)12(4,5)6/h9-10H,3,8H2,1-2,4-7H3.
What are the key properties of 2,3,5,5-tetramethyl-4-methylidene-1-methylsulfanylhexane?
2,3,5,5-tetramethyl-4-methylidene-1-methylsulfanylhexane has a molecular weight of 200.39 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,5-tetramethyl-4-methylidene-1-methylsulfanylhexane is sourced from PubChem (CID 134232897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).