4-(2-methyloxolan-3-yl)sulfanylbutan-1-ol

C9H18O2S — CID 107751769

IUPAC4-(2-methyloxolan-3-yl)sulfanylbutan-1-ol
SMILESCC1OCCC1SCCCCO
InChIInChI=1S/C9H18O2S/c1-8-9(4-6-11-8)12-7-3-2-5-10/h8-10H,2-7H2,1H3
InChIKeyVQWWSQSDEBETST-UHFFFAOYSA-N
MW190.31 g/mol
LogP1.67
Rot. Bonds5

About 4-(2-methyloxolan-3-yl)sulfanylbutan-1-ol

4-(2-methyloxolan-3-yl)sulfanylbutan-1-ol (PubChem CID 107751769) has the molecular formula C9H18O2S and a molecular weight of 190.31 g/mol. Its IUPAC name is 4-(2-methyloxolan-3-yl)sulfanylbutan-1-ol.

Molecular Properties

Compound Name4-(2-methyloxolan-3-yl)sulfanylbutan-1-ol
PubChem CID107751769
Molecular FormulaC9H18O2S
Molecular Weight190.31 g/mol
Exact Mass190.10
IUPAC Name4-(2-methyloxolan-3-yl)sulfanylbutan-1-ol
SMILESCC1OCCC1SCCCCO
InChIInChI=1S/C9H18O2S/c1-8-9(4-6-11-8)12-7-3-2-5-10/h8-10H,2-7H2,1H3
InChIKeyVQWWSQSDEBETST-UHFFFAOYSA-N
XLogP1.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methyloxolan-3-yl)sulfanylethanol
CID 103847375
3-(5-bromopentylsulfanyl)-2-methyloxolane
CID 107746808
3-(2-methyloxolan-3-yl)sulfanylpropan-1-amine
CID 58684021
4-(2-methyloxolan-3-yl)sulfanyl-N-propylbutan-1-amine
CID 107756866
3-(2-chloroethylsulfanyl)-2-methyloxolane
CID 107746824
N-methyl-5-(2-methyloxolan-3-yl)sulfanylpentan-2-amine
CID 107762587
3-(2-methyloxolan-3-yl)sulfanylpropanehydrazide
CID 107760881
2-methyl-6-(2-methyloxolan-3-yl)sulfanyl-2-(propan-2-ylamino)hexanamide
CID 107755159
N-[3-(2-methyloxolan-3-yl)sulfanylpropyl]aniline
CID 107756872
ethyl 2-methyl-2-(methylamino)-6-(2-methyloxolan-3-yl)sulfanylhexanoate
CID 107755296
2-(2-methyloxolan-3-yl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine
CID 107756876
2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentan-1-one
CID 107752429

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyloxolan-3-yl)sulfanylbutan-1-ol?
The IUPAC name of 4-(2-methyloxolan-3-yl)sulfanylbutan-1-ol (CID 107751769) is 4-(2-methyloxolan-3-yl)sulfanylbutan-1-ol.
What is the SMILES notation for 4-(2-methyloxolan-3-yl)sulfanylbutan-1-ol?
The canonical SMILES for 4-(2-methyloxolan-3-yl)sulfanylbutan-1-ol is CC1OCCC1SCCCCO.
What is the InChIKey of 4-(2-methyloxolan-3-yl)sulfanylbutan-1-ol?
The InChIKey is VQWWSQSDEBETST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2S/c1-8-9(4-6-11-8)12-7-3-2-5-10/h8-10H,2-7H2,1H3.
What are the key properties of 4-(2-methyloxolan-3-yl)sulfanylbutan-1-ol?
4-(2-methyloxolan-3-yl)sulfanylbutan-1-ol has a molecular weight of 190.31 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyloxolan-3-yl)sulfanylbutan-1-ol is sourced from PubChem (CID 107751769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).