2-methylsulfanyl-2-prop-2-enyloxocane

C11H20OS — CID 86241841

IUPAC2-methylsulfanyl-2-prop-2-enyloxocane
SMILESC=CCC1(SC)CCCCCCO1
InChIInChI=1S/C11H20OS/c1-3-8-11(13-2)9-6-4-5-7-10-12-11/h3H,1,4-10H2,2H3
InChIKeyCAHHUKRNHMQRLX-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.60
Rot. Bonds3

About 2-methylsulfanyl-2-prop-2-enyloxocane

2-methylsulfanyl-2-prop-2-enyloxocane (PubChem CID 86241841) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-methylsulfanyl-2-prop-2-enyloxocane.

Molecular Properties

Compound Name2-methylsulfanyl-2-prop-2-enyloxocane
PubChem CID86241841
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name2-methylsulfanyl-2-prop-2-enyloxocane
SMILESC=CCC1(SC)CCCCCCO1
InChIInChI=1S/C11H20OS/c1-3-8-11(13-2)9-6-4-5-7-10-12-11/h3H,1,4-10H2,2H3
InChIKeyCAHHUKRNHMQRLX-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methylsulfanyl-2-prop-2-enyloxocane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methylsulfanyl-2-prop-2-enyloxepane
CID 14681298
2-Methylsulfanyl-2-prop-2-enyloxonane
CID 14681301
2-Methylsulfanyl-2-prop-2-enyl-oxacycloheptadecane
CID 14681314
2-Methylsulfanyl-2-prop-2-enyl-oxacyclooctadecane
CID 134871894
4-Ethoxy-4-methylsulfanyloct-1-ene
CID 134872067
2-(Nonoxymethyl)-2,3-dihydrothiophene
CID 91232222
2-(Heptoxymethyl)-2,3-dihydrothiophene
CID 91304634
2-(Octoxymethyl)-2,3-dihydrothiophene
CID 91418087
(4R,5R)-4-methoxy-5-methylsulfanylnon-1-ene
CID 10262277
(4S,5R)-4-methoxy-5-methylsulfanylnon-1-ene
CID 10420405
4-(Methylsulfanylmethoxy)undec-1-ene
CID 15324986
(4S,5S)-4-methoxy-5-methylsulfanylnon-1-ene
CID 101641098

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-2-prop-2-enyloxocane?
The IUPAC name of 2-methylsulfanyl-2-prop-2-enyloxocane (CID 86241841) is 2-methylsulfanyl-2-prop-2-enyloxocane.
What is the SMILES notation for 2-methylsulfanyl-2-prop-2-enyloxocane?
The canonical SMILES for 2-methylsulfanyl-2-prop-2-enyloxocane is C=CCC1(SC)CCCCCCO1.
What is the InChIKey of 2-methylsulfanyl-2-prop-2-enyloxocane?
The InChIKey is CAHHUKRNHMQRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-3-8-11(13-2)9-6-4-5-7-10-12-11/h3H,1,4-10H2,2H3.
What are the key properties of 2-methylsulfanyl-2-prop-2-enyloxocane?
2-methylsulfanyl-2-prop-2-enyloxocane has a molecular weight of 200.35 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-2-prop-2-enyloxocane is sourced from PubChem (CID 86241841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).