3,3-dimethyl-4-methylsulfanyloxane

C8H16OS — CID 123566687

IUPAC3,3-dimethyl-4-methylsulfanyloxane
SMILESCSC1CCOCC1(C)C
InChIInChI=1S/C8H16OS/c1-8(2)6-9-5-4-7(8)10-3/h7H,4-6H2,1-3H3
InChIKeyCWCNQINDDDDEJC-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.16
Rot. Bonds1

About 3,3-dimethyl-4-methylsulfanyloxane

3,3-dimethyl-4-methylsulfanyloxane (PubChem CID 123566687) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 3,3-dimethyl-4-methylsulfanyloxane.

Molecular Properties

Compound Name3,3-dimethyl-4-methylsulfanyloxane
PubChem CID123566687
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name3,3-dimethyl-4-methylsulfanyloxane
SMILESCSC1CCOCC1(C)C
InChIInChI=1S/C8H16OS/c1-8(2)6-9-5-4-7(8)10-3/h7H,4-6H2,1-3H3
InChIKeyCWCNQINDDDDEJC-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 534605
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CID 552725
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CID 18412814
4,4-Dimethyl-2-pentan-2-yl-1,3-oxathiane
CID 18539823
5,5-Diethyl-2-propan-2-yl-1,3-oxathiane
CID 21417749
3-(2-Methylpropyl)-1,4-oxathiane
CID 57260593
2-(3-Methylbutyl)-4-propyl-1,3-oxathiane
CID 57958757
S-[(4-methyloxan-4-yl)methyl] ethanethioate
CID 59267993
2,4-Dimethyl-4-propyl-1,3-oxathiane
CID 69102662
5,5-Dipropyl-1,3-oxathiane
CID 89275820
8-Oxa-2-thiaspiro[3.5]nonane
CID 98012841
9-Oxa-3-thiaspiro[5.5]undecane
CID 118209659

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-methylsulfanyloxane?
The IUPAC name of 3,3-dimethyl-4-methylsulfanyloxane (CID 123566687) is 3,3-dimethyl-4-methylsulfanyloxane.
What is the SMILES notation for 3,3-dimethyl-4-methylsulfanyloxane?
The canonical SMILES for 3,3-dimethyl-4-methylsulfanyloxane is CSC1CCOCC1(C)C.
What is the InChIKey of 3,3-dimethyl-4-methylsulfanyloxane?
The InChIKey is CWCNQINDDDDEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-8(2)6-9-5-4-7(8)10-3/h7H,4-6H2,1-3H3.
What are the key properties of 3,3-dimethyl-4-methylsulfanyloxane?
3,3-dimethyl-4-methylsulfanyloxane has a molecular weight of 160.28 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-methylsulfanyloxane is sourced from PubChem (CID 123566687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).