tert-butylcyclohexane;sulfuryl dichloride

C10H20Cl2O2S — CID 175416889

IUPACtert-butylcyclohexane;sulfuryl dichloride
SMILESCC(C)(C)C1CCCCC1.O=S(=O)(Cl)Cl
InChIInChI=1S/C10H20.Cl2O2S/c1-10(2,3)9-7-5-4-6-8-9;1-5(2,3)4/h9H,4-8H2,1-3H3;
InChIKeySQQKRLXLFSAEGC-UHFFFAOYSA-N
MW275.24 g/mol
LogP4.32
Rot. Bonds

About tert-butylcyclohexane;sulfuryl dichloride

tert-butylcyclohexane;sulfuryl dichloride (PubChem CID 175416889) has the molecular formula C10H20Cl2O2S and a molecular weight of 275.24 g/mol. Its IUPAC name is tert-butylcyclohexane;sulfuryl dichloride.

Molecular Properties

Compound Nametert-butylcyclohexane;sulfuryl dichloride
PubChem CID175416889
Molecular FormulaC10H20Cl2O2S
Molecular Weight275.24 g/mol
Exact Mass274.06
IUPAC Nametert-butylcyclohexane;sulfuryl dichloride
SMILESCC(C)(C)C1CCCCC1.O=S(=O)(Cl)Cl
InChIInChI=1S/C10H20.Cl2O2S/c1-10(2,3)9-7-5-4-6-8-9;1-5(2,3)4/h9H,4-8H2,1-3H3;
InChIKeySQQKRLXLFSAEGC-UHFFFAOYSA-N
XLogP4.32
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butylcyclohexane;sulfuryl dichloride?
The IUPAC name of tert-butylcyclohexane;sulfuryl dichloride (CID 175416889) is tert-butylcyclohexane;sulfuryl dichloride.
What is the SMILES notation for tert-butylcyclohexane;sulfuryl dichloride?
The canonical SMILES for tert-butylcyclohexane;sulfuryl dichloride is CC(C)(C)C1CCCCC1.O=S(=O)(Cl)Cl.
What is the InChIKey of tert-butylcyclohexane;sulfuryl dichloride?
The InChIKey is SQQKRLXLFSAEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.Cl2O2S/c1-10(2,3)9-7-5-4-6-8-9;1-5(2,3)4/h9H,4-8H2,1-3H3;.
What are the key properties of tert-butylcyclohexane;sulfuryl dichloride?
tert-butylcyclohexane;sulfuryl dichloride has a molecular weight of 275.24 g/mol, XLogP of 4.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcyclohexane;sulfuryl dichloride is sourced from PubChem (CID 175416889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).