2-(3-methoxypropyl)-3-methylthiolane

C9H18OS — CID 91446382

IUPAC2-(3-methoxypropyl)-3-methylthiolane
SMILESCOCCCC1SCCC1C
InChIInChI=1S/C9H18OS/c1-8-5-7-11-9(8)4-3-6-10-2/h8-9H,3-7H2,1-2H3
InChIKeyGRJPBRXDHKHTGW-UHFFFAOYSA-N
MW174.31 g/mol
LogP2.55
Rot. Bonds4

About 2-(3-methoxypropyl)-3-methylthiolane

2-(3-methoxypropyl)-3-methylthiolane (PubChem CID 91446382) has the molecular formula C9H18OS and a molecular weight of 174.31 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-3-methylthiolane.

Molecular Properties

Compound Name2-(3-methoxypropyl)-3-methylthiolane
PubChem CID91446382
Molecular FormulaC9H18OS
Molecular Weight174.31 g/mol
Exact Mass174.11
IUPAC Name2-(3-methoxypropyl)-3-methylthiolane
SMILESCOCCCC1SCCC1C
InChIInChI=1S/C9H18OS/c1-8-5-7-11-9(8)4-3-6-10-2/h8-9H,3-7H2,1-2H3
InChIKeyGRJPBRXDHKHTGW-UHFFFAOYSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4S)-2-ethyl-4-fluoro-5-methoxy-3-methylthiolane
CID 58320975
(2R,3S,4S,5S)-2-ethyl-4-fluoro-5-methoxy-3-methylthiolane
CID 134352282
2-Heptan-3-yl-1,3-oxathiolane
CID 306084
7-Methyl-1-oxa-4-thiaspiro[4.5]decane
CID 10965005
2-(Methoxymethyl)-3,4-dimethyl-5-propan-2-ylthiolane
CID 20662326
2-(6-Methylnonyl)-1,3-oxathiolane
CID 21429350
2-(3-Methoxypropyl)thiolane
CID 23315791
3-(Thiolan-2-yl)oxane
CID 53719537
4-Ethylsulfanyl-3-propyloxane
CID 53778399
7-Ethyl-8,9,10-trimethyl-1-oxa-6-thiaspiro[4.5]decane
CID 59278935
2-Butan-2-yl-3,4-dimethyl-5-methylsulfanyloxolane
CID 60012731
3-(Thiolan-2-yl)oxolane
CID 69131875

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-3-methylthiolane?
The IUPAC name of 2-(3-methoxypropyl)-3-methylthiolane (CID 91446382) is 2-(3-methoxypropyl)-3-methylthiolane.
What is the SMILES notation for 2-(3-methoxypropyl)-3-methylthiolane?
The canonical SMILES for 2-(3-methoxypropyl)-3-methylthiolane is COCCCC1SCCC1C.
What is the InChIKey of 2-(3-methoxypropyl)-3-methylthiolane?
The InChIKey is GRJPBRXDHKHTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OS/c1-8-5-7-11-9(8)4-3-6-10-2/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(3-methoxypropyl)-3-methylthiolane?
2-(3-methoxypropyl)-3-methylthiolane has a molecular weight of 174.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-3-methylthiolane is sourced from PubChem (CID 91446382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).