4-(2-methylpropyl)-1,3-oxathiocane

C10H20OS — CID 123597620

IUPAC4-(2-methylpropyl)-1,3-oxathiocane
SMILESCC(C)CC1CCCCOCS1
InChIInChI=1S/C10H20OS/c1-9(2)7-10-5-3-4-6-11-8-12-10/h9-10H,3-8H2,1-2H3
InChIKeyIEGDTBHIRUMYMD-UHFFFAOYSA-N
MW188.34 g/mol
LogP3.29
Rot. Bonds2

About 4-(2-methylpropyl)-1,3-oxathiocane

4-(2-methylpropyl)-1,3-oxathiocane (PubChem CID 123597620) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is 4-(2-methylpropyl)-1,3-oxathiocane.

Molecular Properties

Compound Name4-(2-methylpropyl)-1,3-oxathiocane
PubChem CID123597620
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name4-(2-methylpropyl)-1,3-oxathiocane
SMILESCC(C)CC1CCCCOCS1
InChIInChI=1S/C10H20OS/c1-9(2)7-10-5-3-4-6-11-8-12-10/h9-10H,3-8H2,1-2H3
InChIKeyIEGDTBHIRUMYMD-UHFFFAOYSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Oxa-5-thiaspiro[3.7]undecane
CID 118210850
3-Ethyl-4-methyl-1-(propylsulfanylmethoxy)heptane
CID 123192886
O-(7-methyloctyl) 7-methyloctylsulfanylmethanethioate
CID 140369675
(3S)-3-(methoxymethyl)-9-methyl-1-methylsulfanyldecane
CID 173551390
(3R)-3-(methoxymethyl)-9-methyl-1-methylsulfanyldecane
CID 173551460
2-(Ethenoxymethyl)-2-methylthiocane
CID 176603885
1-(Heptoxymethylsulfanyl)-4,6-dimethylnonane
CID 176202103

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-1,3-oxathiocane?
The IUPAC name of 4-(2-methylpropyl)-1,3-oxathiocane (CID 123597620) is 4-(2-methylpropyl)-1,3-oxathiocane.
What is the SMILES notation for 4-(2-methylpropyl)-1,3-oxathiocane?
The canonical SMILES for 4-(2-methylpropyl)-1,3-oxathiocane is CC(C)CC1CCCCOCS1.
What is the InChIKey of 4-(2-methylpropyl)-1,3-oxathiocane?
The InChIKey is IEGDTBHIRUMYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-9(2)7-10-5-3-4-6-11-8-12-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-1,3-oxathiocane?
4-(2-methylpropyl)-1,3-oxathiocane has a molecular weight of 188.34 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-1,3-oxathiocane is sourced from PubChem (CID 123597620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).