3-(2-methoxyethylsulfanyl)oxolane

C7H14O2S — CID 126989960

IUPAC3-(2-methoxyethylsulfanyl)oxolane
SMILESCOCCSC1CCOC1
InChIInChI=1S/C7H14O2S/c1-8-4-5-10-7-2-3-9-6-7/h7H,2-6H2,1H3
InChIKeyMBTUZCHBXPEPKE-UHFFFAOYSA-N
MW162.25 g/mol
LogP1.15
Rot. Bonds4

About 3-(2-methoxyethylsulfanyl)oxolane

3-(2-methoxyethylsulfanyl)oxolane (PubChem CID 126989960) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is 3-(2-methoxyethylsulfanyl)oxolane.

Molecular Properties

Compound Name3-(2-methoxyethylsulfanyl)oxolane
PubChem CID126989960
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Name3-(2-methoxyethylsulfanyl)oxolane
SMILESCOCCSC1CCOC1
InChIInChI=1S/C7H14O2S/c1-8-4-5-10-7-2-3-9-6-7/h7H,2-6H2,1H3
InChIKeyMBTUZCHBXPEPKE-UHFFFAOYSA-N
XLogP1.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(cyclopropylmethylsulfanyl)oxolane
CID 130651983
3-(3-methylbut-2-enylsulfanyl)oxolane
CID 126994807
2-methoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 43190181
2-methoxy-N-[2-(oxolan-3-yloxy)ethyl]ethanamine
CID 63558119
N-(2-methoxyethyl)oxolan-3-amine
CID 63331660
3-pent-3-ynylsulfanyloxane
CID 130683815
3-methoxy-N-(oxolan-3-ylmethyl)propan-1-amine
CID 43205123
N-methyl-2-(oxan-4-ylsulfanyl)ethanamine
CID 62991941
4-(2,2-dimethoxyethylsulfanyl)oxane
CID 66222578
ethane;3-(methoxymethyl)oxolane
CID 143285946
4-(3,3-diethoxypropylsulfanyl)oxane
CID 63630320
N-(4-methoxybutyl)oxolan-3-amine
CID 63335646

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylsulfanyl)oxolane?
The IUPAC name of 3-(2-methoxyethylsulfanyl)oxolane (CID 126989960) is 3-(2-methoxyethylsulfanyl)oxolane.
What is the SMILES notation for 3-(2-methoxyethylsulfanyl)oxolane?
The canonical SMILES for 3-(2-methoxyethylsulfanyl)oxolane is COCCSC1CCOC1.
What is the InChIKey of 3-(2-methoxyethylsulfanyl)oxolane?
The InChIKey is MBTUZCHBXPEPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2S/c1-8-4-5-10-7-2-3-9-6-7/h7H,2-6H2,1H3.
What are the key properties of 3-(2-methoxyethylsulfanyl)oxolane?
3-(2-methoxyethylsulfanyl)oxolane has a molecular weight of 162.25 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylsulfanyl)oxolane is sourced from PubChem (CID 126989960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).