2-tert-butyl-5-propyl-1,3-oxathiolane

C10H20OS — CID 101387766

IUPAC2-tert-butyl-5-propyl-1,3-oxathiolane
SMILESCCCC1CSC(C(C)(C)C)O1
InChIInChI=1S/C10H20OS/c1-5-6-8-7-12-9(11-8)10(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyDBSPCLAYSFGQQT-UHFFFAOYSA-N
MW188.34 g/mol
LogP3.29
Rot. Bonds2

About 2-tert-butyl-5-propyl-1,3-oxathiolane

2-tert-butyl-5-propyl-1,3-oxathiolane (PubChem CID 101387766) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is 2-tert-butyl-5-propyl-1,3-oxathiolane.

Molecular Properties

Compound Name2-tert-butyl-5-propyl-1,3-oxathiolane
PubChem CID101387766
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name2-tert-butyl-5-propyl-1,3-oxathiolane
SMILESCCCC1CSC(C(C)(C)C)O1
InChIInChI=1S/C10H20OS/c1-5-6-8-7-12-9(11-8)10(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyDBSPCLAYSFGQQT-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-Butyl-4-methyl-1,3-oxathiolane
CID 129801113
1-Butylsulfanyl-4-methoxypentane
CID 134896767
(2S)-2-tert-butyl-2-methyl-1,3-oxathiolane
CID 637784
2-Butyl-2-methyl-1,3-oxathiolane
CID 13004868
2-Tert-butyl-2-methyl-1,3-oxathiolane
CID 14265088
2-Isobutyl-2-methyl-1,3-oxathiolane
CID 15192111
2-(2-Methylpropoxy)thiolane
CID 15207543
1-Butylsulfanyl-4-ethoxyhexane
CID 18538278
4-Ethoxy-2,4-dimethylthiolane
CID 19899987
4,5-Dimethyl-2-[2-(methylsulfanyl)ethyl]-1,3-oxathiolane
CID 20398667
5-Methyl-2-pentyl-1,3-oxathiolane
CID 20514308
2-(2,2-Dimethylpropylsulfanylmethyl)oxolane
CID 21060295

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-propyl-1,3-oxathiolane?
The IUPAC name of 2-tert-butyl-5-propyl-1,3-oxathiolane (CID 101387766) is 2-tert-butyl-5-propyl-1,3-oxathiolane.
What is the SMILES notation for 2-tert-butyl-5-propyl-1,3-oxathiolane?
The canonical SMILES for 2-tert-butyl-5-propyl-1,3-oxathiolane is CCCC1CSC(C(C)(C)C)O1.
What is the InChIKey of 2-tert-butyl-5-propyl-1,3-oxathiolane?
The InChIKey is DBSPCLAYSFGQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-5-6-8-7-12-9(11-8)10(2,3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-tert-butyl-5-propyl-1,3-oxathiolane?
2-tert-butyl-5-propyl-1,3-oxathiolane 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 2-tert-butyl-5-propyl-1,3-oxathiolane is sourced from PubChem (CID 101387766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).