1-propan-2-yl-1-propan-2-ylsulfanylcyclobutane

C10H20S — CID 164846029

IUPAC1-propan-2-yl-1-propan-2-ylsulfanylcyclobutane
SMILESCC(C)SC1(C(C)C)CCC1
InChIInChI=1S/C10H20S/c1-8(2)10(6-5-7-10)11-9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyUZVALZVCNQOPPB-UHFFFAOYSA-N
MW172.34 g/mol
LogP3.71
Rot. Bonds3

About 1-propan-2-yl-1-propan-2-ylsulfanylcyclobutane

1-propan-2-yl-1-propan-2-ylsulfanylcyclobutane (PubChem CID 164846029) has the molecular formula C10H20S and a molecular weight of 172.34 g/mol. Its IUPAC name is 1-propan-2-yl-1-propan-2-ylsulfanylcyclobutane.

Molecular Properties

Compound Name1-propan-2-yl-1-propan-2-ylsulfanylcyclobutane
PubChem CID164846029
Molecular FormulaC10H20S
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name1-propan-2-yl-1-propan-2-ylsulfanylcyclobutane
SMILESCC(C)SC1(C(C)C)CCC1
InChIInChI=1S/C10H20S/c1-8(2)10(6-5-7-10)11-9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyUZVALZVCNQOPPB-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-1-propan-2-ylsulfanylcyclobutane?
The IUPAC name of 1-propan-2-yl-1-propan-2-ylsulfanylcyclobutane (CID 164846029) is 1-propan-2-yl-1-propan-2-ylsulfanylcyclobutane.
What is the SMILES notation for 1-propan-2-yl-1-propan-2-ylsulfanylcyclobutane?
The canonical SMILES for 1-propan-2-yl-1-propan-2-ylsulfanylcyclobutane is CC(C)SC1(C(C)C)CCC1.
What is the InChIKey of 1-propan-2-yl-1-propan-2-ylsulfanylcyclobutane?
The InChIKey is UZVALZVCNQOPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20S/c1-8(2)10(6-5-7-10)11-9(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 1-propan-2-yl-1-propan-2-ylsulfanylcyclobutane?
1-propan-2-yl-1-propan-2-ylsulfanylcyclobutane has a molecular weight of 172.34 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-1-propan-2-ylsulfanylcyclobutane is sourced from PubChem (CID 164846029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).