but-2-en-2-ylsulfanylmethylcyclohexane

C11H20S — CID 91299244

IUPACbut-2-en-2-ylsulfanylmethylcyclohexane
SMILESCC=C(C)SCC1CCCCC1
InChIInChI=1S/C11H20S/c1-3-10(2)12-9-11-7-5-4-6-8-11/h3,11H,4-9H2,1-2H3
InChIKeySBTLUMGNKVJURC-UHFFFAOYSA-N
MW184.35 g/mol
LogP4.22
Rot. Bonds3

About but-2-en-2-ylsulfanylmethylcyclohexane

but-2-en-2-ylsulfanylmethylcyclohexane (PubChem CID 91299244) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is but-2-en-2-ylsulfanylmethylcyclohexane.

Molecular Properties

Compound Namebut-2-en-2-ylsulfanylmethylcyclohexane
PubChem CID91299244
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Namebut-2-en-2-ylsulfanylmethylcyclohexane
SMILESCC=C(C)SCC1CCCCC1
InChIInChI=1S/C11H20S/c1-3-10(2)12-9-11-7-5-4-6-8-11/h3,11H,4-9H2,1-2H3
InChIKeySBTLUMGNKVJURC-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclohexylmethyl N'-methylcarbamimidothioate
CID 130719804
ethene;[(Z)-prop-1-enyl]sulfanylmethylcyclohexane
CID 176708755
cyclobutylmethyl ethanimidothioate
CID 142153982
methylsulfanylmethylcyclohexane;propane
CID 90890228
potassium;S-(cyclopentylmethyl) ethanethioate;ethanethioate;ethylcyclopentane
CID 161222474
1-(cyclopentylmethylsulfanyl)propan-2-ol
CID 63119780
3-methylbut-2-enylcyclohexane
CID 57116063
2-[(1E,3E,5Z)-3-(cyclohexylmethylsulfanyl)hepta-1,3,5-trienoxy]ethanamine
CID 143954897
cyclohexylmethylsulfanyloxysulfanylmethylcyclohexane
CID 174718309
5-methylhex-4-en-2-ynylcyclohexane
CID 162513481
(3-cyclohexyl-2-methylsulfonylpropyl)cyclohexane
CID 158866728
1-cyclohexadecylpropan-2-one
CID 175123721

Frequently Asked Questions

What is the IUPAC name of but-2-en-2-ylsulfanylmethylcyclohexane?
The IUPAC name of but-2-en-2-ylsulfanylmethylcyclohexane (CID 91299244) is but-2-en-2-ylsulfanylmethylcyclohexane.
What is the SMILES notation for but-2-en-2-ylsulfanylmethylcyclohexane?
The canonical SMILES for but-2-en-2-ylsulfanylmethylcyclohexane is CC=C(C)SCC1CCCCC1.
What is the InChIKey of but-2-en-2-ylsulfanylmethylcyclohexane?
The InChIKey is SBTLUMGNKVJURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S/c1-3-10(2)12-9-11-7-5-4-6-8-11/h3,11H,4-9H2,1-2H3.
What are the key properties of but-2-en-2-ylsulfanylmethylcyclohexane?
but-2-en-2-ylsulfanylmethylcyclohexane has a molecular weight of 184.35 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-en-2-ylsulfanylmethylcyclohexane is sourced from PubChem (CID 91299244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).