2-ethyl-4,4-dimethyl-1,3-oxathiane

C8H16OS — CID 18539814

IUPAC2-ethyl-4,4-dimethyl-1,3-oxathiane
SMILESCCC1OCCC(C)(C)S1
InChIInChI=1S/C8H16OS/c1-4-7-9-6-5-8(2,3)10-7/h7H,4-6H2,1-3H3
InChIKeyMGCPAMUGCONVKI-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.65
Rot. Bonds1

About 2-ethyl-4,4-dimethyl-1,3-oxathiane

2-ethyl-4,4-dimethyl-1,3-oxathiane (PubChem CID 18539814) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 2-ethyl-4,4-dimethyl-1,3-oxathiane.

Molecular Properties

Compound Name2-ethyl-4,4-dimethyl-1,3-oxathiane
PubChem CID18539814
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name2-ethyl-4,4-dimethyl-1,3-oxathiane
SMILESCCC1OCCC(C)(C)S1
InChIInChI=1S/C8H16OS/c1-4-7-9-6-5-8(2,3)10-7/h7H,4-6H2,1-3H3
InChIKeyMGCPAMUGCONVKI-UHFFFAOYSA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-2-propyl-1,3-oxathiane
CID 46195362
2,4,4-Trimethyl-1,3-oxathiane
CID 18539813
2-Butylsulfanyloxane
CID 558914
Jmjgrbrvnkjamm-uhfffaoysa-
CID 21578782
1-Butoxy-2-butylmercaptoethane
CID 86145645
1,3-Oxathiane, 2,2,4,6-tetramethyl-, cis-
CID 141906
2,4,6-Triethyl-1,3,5-oxadithiane
CID 131752465
(2R,4R)-2,4-dimethyl-1,3-oxathiane
CID 637779
(2S,5S)-2,5-diisopropyl-1,3-oxathiane
CID 643432
2,2-Diethyl-5,5-dimethyl-1,3-oxathiane
CID 21578780
2-Propylsulfanyloxane
CID 15557896
1,3-Oxathiane, 2-ethyl-2,6-dimethyl-, trans-
CID 22212713

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,4-dimethyl-1,3-oxathiane?
The IUPAC name of 2-ethyl-4,4-dimethyl-1,3-oxathiane (CID 18539814) is 2-ethyl-4,4-dimethyl-1,3-oxathiane.
What is the SMILES notation for 2-ethyl-4,4-dimethyl-1,3-oxathiane?
The canonical SMILES for 2-ethyl-4,4-dimethyl-1,3-oxathiane is CCC1OCCC(C)(C)S1.
What is the InChIKey of 2-ethyl-4,4-dimethyl-1,3-oxathiane?
The InChIKey is MGCPAMUGCONVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-4-7-9-6-5-8(2,3)10-7/h7H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-4,4-dimethyl-1,3-oxathiane?
2-ethyl-4,4-dimethyl-1,3-oxathiane has a molecular weight of 160.28 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,4-dimethyl-1,3-oxathiane is sourced from PubChem (CID 18539814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).