(6R)-2-ethylsulfanyl-6-methyloxane

C8H16OS — CID 163901541

IUPAC(6R)-2-ethylsulfanyl-6-methyloxane
SMILESCCSC1CCC[C@@H](C)O1
InChIInChI=1S/C8H16OS/c1-3-10-8-6-4-5-7(2)9-8/h7-8H,3-6H2,1-2H3/t7-,8?/m1/s1
InChIKeyQKGXALQSZYZZDA-GVHYBUMESA-N
MW160.28 g/mol
LogP2.65
Rot. Bonds2

About (6R)-2-ethylsulfanyl-6-methyloxane

(6R)-2-ethylsulfanyl-6-methyloxane (PubChem CID 163901541) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is (6R)-2-ethylsulfanyl-6-methyloxane.

Molecular Properties

Compound Name(6R)-2-ethylsulfanyl-6-methyloxane
PubChem CID163901541
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name(6R)-2-ethylsulfanyl-6-methyloxane
SMILESCCSC1CCC[C@@H](C)O1
InChIInChI=1S/C8H16OS/c1-3-10-8-6-4-5-7(2)9-8/h7-8H,3-6H2,1-2H3/t7-,8?/m1/s1
InChIKeyQKGXALQSZYZZDA-GVHYBUMESA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

cis-2-Methyl-4-propyl-1,3-oxathiane
CID 101010
2-Methyl-4-propyl-1,3-oxathiane, trans-
CID 6931726
2-Pentyl-4-propyl-1,3-oxathiane
CID 20514321
(2R,4S)-2-methyl-4-propyl-1,3-oxathiane
CID 6931725
1,3-Oxathiane, 2-methyl-4-propyl-, (2R,4S)-rel-
CID 6931728
2-Butylsulfanyloxane
CID 558914
1,3-Oxathiane, 2,4,6-trimethyl-, cis,cis-
CID 140915
1,3-Oxathiane, 2,2,4,6-tetramethyl-, cis-
CID 141906
2-(Methylsulfanylmethyl)oxane
CID 13022885
2-Methyl-4-propyl-1,3-oxathiane-3-oxide
CID 13808292
2-Propylsulfanyloxane
CID 15557896
trans-2-Methyl-4-n-propyl-1,3-oxathiane
CID 6931727

Frequently Asked Questions

What is the IUPAC name of (6R)-2-ethylsulfanyl-6-methyloxane?
The IUPAC name of (6R)-2-ethylsulfanyl-6-methyloxane (CID 163901541) is (6R)-2-ethylsulfanyl-6-methyloxane.
What is the SMILES notation for (6R)-2-ethylsulfanyl-6-methyloxane?
The canonical SMILES for (6R)-2-ethylsulfanyl-6-methyloxane is CCSC1CCC[C@@H](C)O1.
What is the InChIKey of (6R)-2-ethylsulfanyl-6-methyloxane?
The InChIKey is QKGXALQSZYZZDA-GVHYBUMESA-N. The full InChI is InChI=1S/C8H16OS/c1-3-10-8-6-4-5-7(2)9-8/h7-8H,3-6H2,1-2H3/t7-,8?/m1/s1.
What are the key properties of (6R)-2-ethylsulfanyl-6-methyloxane?
(6R)-2-ethylsulfanyl-6-methyloxane has a molecular weight of 160.28 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-ethylsulfanyl-6-methyloxane is sourced from PubChem (CID 163901541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).