4-(2,2-dimethoxyethylsulfanyl)oxane

C9H18O3S — CID 66222578

IUPAC4-(2,2-dimethoxyethylsulfanyl)oxane
SMILESCOC(CSC1CCOCC1)OC
InChIInChI=1S/C9H18O3S/c1-10-9(11-2)7-13-8-3-5-12-6-4-8/h8-9H,3-7H2,1-2H3
InChIKeyMEUMWXPAYQMSKV-UHFFFAOYSA-N
MW206.31 g/mol
LogP1.52
Rot. Bonds5

About 4-(2,2-dimethoxyethylsulfanyl)oxane

4-(2,2-dimethoxyethylsulfanyl)oxane (PubChem CID 66222578) has the molecular formula C9H18O3S and a molecular weight of 206.31 g/mol. Its IUPAC name is 4-(2,2-dimethoxyethylsulfanyl)oxane.

Molecular Properties

Compound Name4-(2,2-dimethoxyethylsulfanyl)oxane
PubChem CID66222578
Molecular FormulaC9H18O3S
Molecular Weight206.31 g/mol
Exact Mass206.10
IUPAC Name4-(2,2-dimethoxyethylsulfanyl)oxane
SMILESCOC(CSC1CCOCC1)OC
InChIInChI=1S/C9H18O3S/c1-10-9(11-2)7-13-8-3-5-12-6-4-8/h8-9H,3-7H2,1-2H3
InChIKeyMEUMWXPAYQMSKV-UHFFFAOYSA-N
XLogP1.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethoxyethylsulfanylcyclohexane
CID 66221293
1-(oxan-4-ylsulfanyl)-3-propan-2-yloxypropan-2-ol
CID 63987628
4-[2-(bromomethyl)butylsulfanyl]oxane
CID 65000210
methyl 3-(oxan-4-ylsulfanyl)-2-(propan-2-ylamino)propanoate
CID 62989798
4-(3,3-diethoxypropylsulfanyl)oxane
CID 63630320
1-cyclohexyl-N-methyl-2-(oxan-4-ylsulfanyl)ethanamine
CID 104755747
2-(methylamino)-3-(oxan-4-ylsulfanyl)propanenitrile
CID 62989257
3-amino-4-(oxan-4-ylsulfanyl)butan-1-ol
CID 64899880
2-methyl-3-(oxan-4-ylsulfanyl)propanimidamide
CID 62996983
2-(oxan-4-ylsulfanyl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 64626162
N-methyl-2-(oxan-4-ylsulfanyl)ethanamine
CID 62991941
1-(2,5-dimethoxyphenyl)-N-methyl-2-(oxan-4-ylsulfanyl)ethanamine
CID 64627745

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethoxyethylsulfanyl)oxane?
The IUPAC name of 4-(2,2-dimethoxyethylsulfanyl)oxane (CID 66222578) is 4-(2,2-dimethoxyethylsulfanyl)oxane.
What is the SMILES notation for 4-(2,2-dimethoxyethylsulfanyl)oxane?
The canonical SMILES for 4-(2,2-dimethoxyethylsulfanyl)oxane is COC(CSC1CCOCC1)OC.
What is the InChIKey of 4-(2,2-dimethoxyethylsulfanyl)oxane?
The InChIKey is MEUMWXPAYQMSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3S/c1-10-9(11-2)7-13-8-3-5-12-6-4-8/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-(2,2-dimethoxyethylsulfanyl)oxane?
4-(2,2-dimethoxyethylsulfanyl)oxane has a molecular weight of 206.31 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethoxyethylsulfanyl)oxane is sourced from PubChem (CID 66222578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).