3,4,6-trimethyl-5-prop-1-en-2-ylsulfanylcyclohexene

C12H20S — CID 129156202

IUPAC3,4,6-trimethyl-5-prop-1-en-2-ylsulfanylcyclohexene
SMILESC=C(C)SC1C(C)C=CC(C)C1C
InChIInChI=1S/C12H20S/c1-8(2)13-12-10(4)7-6-9(3)11(12)5/h6-7,9-12H,1H2,2-5H3
InChIKeyYMVOBORCVLKXMT-UHFFFAOYSA-N
MW196.36 g/mol
LogP4.10
Rot. Bonds2

About 3,4,6-trimethyl-5-prop-1-en-2-ylsulfanylcyclohexene

3,4,6-trimethyl-5-prop-1-en-2-ylsulfanylcyclohexene (PubChem CID 129156202) has the molecular formula C12H20S and a molecular weight of 196.36 g/mol. Its IUPAC name is 3,4,6-trimethyl-5-prop-1-en-2-ylsulfanylcyclohexene.

Molecular Properties

Compound Name3,4,6-trimethyl-5-prop-1-en-2-ylsulfanylcyclohexene
PubChem CID129156202
Molecular FormulaC12H20S
Molecular Weight196.36 g/mol
Exact Mass196.13
IUPAC Name3,4,6-trimethyl-5-prop-1-en-2-ylsulfanylcyclohexene
SMILESC=C(C)SC1C(C)C=CC(C)C1C
InChIInChI=1S/C12H20S/c1-8(2)13-12-10(4)7-6-9(3)11(12)5/h6-7,9-12H,1H2,2-5H3
InChIKeyYMVOBORCVLKXMT-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.36
LogP ≤ 54.10
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 3,4,6-trimethyl-5-prop-1-en-2-ylsulfanylcyclohexene?
The IUPAC name of 3,4,6-trimethyl-5-prop-1-en-2-ylsulfanylcyclohexene (CID 129156202) is 3,4,6-trimethyl-5-prop-1-en-2-ylsulfanylcyclohexene.
What is the SMILES notation for 3,4,6-trimethyl-5-prop-1-en-2-ylsulfanylcyclohexene?
The canonical SMILES for 3,4,6-trimethyl-5-prop-1-en-2-ylsulfanylcyclohexene is C=C(C)SC1C(C)C=CC(C)C1C.
What is the InChIKey of 3,4,6-trimethyl-5-prop-1-en-2-ylsulfanylcyclohexene?
The InChIKey is YMVOBORCVLKXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20S/c1-8(2)13-12-10(4)7-6-9(3)11(12)5/h6-7,9-12H,1H2,2-5H3.
What are the key properties of 3,4,6-trimethyl-5-prop-1-en-2-ylsulfanylcyclohexene?
3,4,6-trimethyl-5-prop-1-en-2-ylsulfanylcyclohexene has a molecular weight of 196.36 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trimethyl-5-prop-1-en-2-ylsulfanylcyclohexene is sourced from PubChem (CID 129156202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).