methylcyclohexane;4-methyloxane;4-methylthiane;2-methylthiane 1,1-dioxide

C25H50O3S2 — CID 160742504

IUPACmethylcyclohexane;4-methyloxane;4-methylthiane;2-methylthiane 1,1-dioxide
SMILESCC1CCCCC1.CC1CCCCS1(=O)=O.CC1CCOCC1.CC1CCSCC1
InChIInChI=1S/C7H14.C6H12O2S.C6H12O.C6H12S/c1-7-5-3-2-4-6-7;1-6-4-2-3-5-9(6,7)8;2*1-6-2-4-7-5-3-6/h7H,2-6H2,1H3;6H,2-5H2,1H3;2*6H,2-5H2,1H3
InChIKeyRVTQPAXBLHBBCL-UHFFFAOYSA-N
MW462.81 g/mol
LogP7.14
Rot. Bonds

About methylcyclohexane;4-methyloxane;4-methylthiane;2-methylthiane 1,1-dioxide

methylcyclohexane;4-methyloxane;4-methylthiane;2-methylthiane 1,1-dioxide (PubChem CID 160742504) has the molecular formula C25H50O3S2 and a molecular weight of 462.81 g/mol. Its IUPAC name is methylcyclohexane;4-methyloxane;4-methylthiane;2-methylthiane 1,1-dioxide.

Molecular Properties

Compound Namemethylcyclohexane;4-methyloxane;4-methylthiane;2-methylthiane 1,1-dioxide
PubChem CID160742504
Molecular FormulaC25H50O3S2
Molecular Weight462.81 g/mol
Exact Mass462.32
IUPAC Namemethylcyclohexane;4-methyloxane;4-methylthiane;2-methylthiane 1,1-dioxide
SMILESCC1CCCCC1.CC1CCCCS1(=O)=O.CC1CCOCC1.CC1CCSCC1
InChIInChI=1S/C7H14.C6H12O2S.C6H12O.C6H12S/c1-7-5-3-2-4-6-7;1-6-4-2-3-5-9(6,7)8;2*1-6-2-4-7-5-3-6/h7H,2-6H2,1H3;6H,2-5H2,1H3;2*6H,2-5H2,1H3
InChIKeyRVTQPAXBLHBBCL-UHFFFAOYSA-N
XLogP7.14
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.81
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methylcyclohexane;4-methyloxane;4-methylthiane;2-methylthiane 1,1-dioxide 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

4-Ethylthiane;4-ethylthiane 1-oxide;4-methyloxane
CID 143167322
Methane;1-methyl-2-propan-2-ylcyclohexane;3-methyl-4-propan-2-yloxane;4-methyl-3-propan-2-ylthiane 1,1-dioxide
CID 159611892
Methylcyclohexane;4-methyloxane;4-methylthiane;4-methylthiane 1,1-dioxide;4-methylthiane 1-oxide
CID 159915125
1-Methyl-2-propan-2-ylcyclohexane;3-methyl-4-propan-2-yloxane;4-methyl-3-propan-2-ylthiane 1,1-dioxide
CID 159941079
Methylcyclohexane;2-methyloxane;2-methylthiane;2-methylthiane 1,1-dioxide;2-methylthiane 1-oxide
CID 160220340
Methylcyclohexane;3-methyloxane;3-methylthiane;3-methylthiane 1,1-dioxide;3-methylthiane 1-oxide
CID 160558944
4-(2,4-Dimethylpentan-3-yl)oxane;4-(2,4-dimethylpentan-3-yl)thiane;4-(2,4-dimethylpentan-3-yl)thiane 1,1-dioxide
CID 161617566
4-(2,4-Dimethylpentan-3-yl)oxane;4-(2,4-dimethylpentan-3-yl)thiane;4-(2,4-dimethylpentan-3-yl)thiane 1,1-dioxide;methane
CID 162001196
Methylcyclohexane;2-methyloxane;2-methylthiane;2-methylthiane 1-oxide
CID 162088940
3-Methyloxane;3-methylthiane;3-methylthiane 1,1-dioxide;3-methylthiane 1-oxide
CID 162226509

Frequently Asked Questions

What is the IUPAC name of methylcyclohexane;4-methyloxane;4-methylthiane;2-methylthiane 1,1-dioxide?
The IUPAC name of methylcyclohexane;4-methyloxane;4-methylthiane;2-methylthiane 1,1-dioxide (CID 160742504) is methylcyclohexane;4-methyloxane;4-methylthiane;2-methylthiane 1,1-dioxide.
What is the SMILES notation for methylcyclohexane;4-methyloxane;4-methylthiane;2-methylthiane 1,1-dioxide?
The canonical SMILES for methylcyclohexane;4-methyloxane;4-methylthiane;2-methylthiane 1,1-dioxide is CC1CCCCC1.CC1CCCCS1(=O)=O.CC1CCOCC1.CC1CCSCC1.
What is the InChIKey of methylcyclohexane;4-methyloxane;4-methylthiane;2-methylthiane 1,1-dioxide?
The InChIKey is RVTQPAXBLHBBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C6H12O2S.C6H12O.C6H12S/c1-7-5-3-2-4-6-7;1-6-4-2-3-5-9(6,7)8;2*1-6-2-4-7-5-3-6/h7H,2-6H2,1H3;6H,2-5H2,1H3;2*6H,2-5H2,1H3.
What are the key properties of methylcyclohexane;4-methyloxane;4-methylthiane;2-methylthiane 1,1-dioxide?
methylcyclohexane;4-methyloxane;4-methylthiane;2-methylthiane 1,1-dioxide has a molecular weight of 462.81 g/mol, XLogP of 7.14, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylcyclohexane;4-methyloxane;4-methylthiane;2-methylthiane 1,1-dioxide is sourced from PubChem (CID 160742504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).