2,3,4,6-tetramethyl-5-prop-1-en-2-ylcyclohexane-1-thiol

C13H24S — CID 123995424

IUPAC2,3,4,6-tetramethyl-5-prop-1-en-2-ylcyclohexane-1-thiol
SMILESC=C(C)C1C(C)C(C)C(C)C(S)C1C
InChIInChI=1S/C13H24S/c1-7(2)12-9(4)8(3)10(5)13(14)11(12)6/h8-14H,1H2,2-6H3
InChIKeyCAMOAZKZOZVQMX-UHFFFAOYSA-N
MW212.40 g/mol
LogP4.04
Rot. Bonds1

About 2,3,4,6-tetramethyl-5-prop-1-en-2-ylcyclohexane-1-thiol

2,3,4,6-tetramethyl-5-prop-1-en-2-ylcyclohexane-1-thiol (PubChem CID 123995424) has the molecular formula C13H24S and a molecular weight of 212.40 g/mol. Its IUPAC name is 2,3,4,6-tetramethyl-5-prop-1-en-2-ylcyclohexane-1-thiol.

Molecular Properties

Compound Name2,3,4,6-tetramethyl-5-prop-1-en-2-ylcyclohexane-1-thiol
PubChem CID123995424
Molecular FormulaC13H24S
Molecular Weight212.40 g/mol
Exact Mass212.16
IUPAC Name2,3,4,6-tetramethyl-5-prop-1-en-2-ylcyclohexane-1-thiol
SMILESC=C(C)C1C(C)C(C)C(C)C(S)C1C
InChIInChI=1S/C13H24S/c1-7(2)12-9(4)8(3)10(5)13(14)11(12)6/h8-14H,1H2,2-6H3
InChIKeyCAMOAZKZOZVQMX-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetramethyl-5-prop-1-en-2-ylcyclohexane-1-thiol?
The IUPAC name of 2,3,4,6-tetramethyl-5-prop-1-en-2-ylcyclohexane-1-thiol (CID 123995424) is 2,3,4,6-tetramethyl-5-prop-1-en-2-ylcyclohexane-1-thiol.
What is the SMILES notation for 2,3,4,6-tetramethyl-5-prop-1-en-2-ylcyclohexane-1-thiol?
The canonical SMILES for 2,3,4,6-tetramethyl-5-prop-1-en-2-ylcyclohexane-1-thiol is C=C(C)C1C(C)C(C)C(C)C(S)C1C.
What is the InChIKey of 2,3,4,6-tetramethyl-5-prop-1-en-2-ylcyclohexane-1-thiol?
The InChIKey is CAMOAZKZOZVQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24S/c1-7(2)12-9(4)8(3)10(5)13(14)11(12)6/h8-14H,1H2,2-6H3.
What are the key properties of 2,3,4,6-tetramethyl-5-prop-1-en-2-ylcyclohexane-1-thiol?
2,3,4,6-tetramethyl-5-prop-1-en-2-ylcyclohexane-1-thiol has a molecular weight of 212.40 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetramethyl-5-prop-1-en-2-ylcyclohexane-1-thiol is sourced from PubChem (CID 123995424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).