1-(1,1-dioxothiolan-3-yl)-3-ethoxypropan-2-ol

C9H18O4S — CID 105111757

IUPAC1-(1,1-dioxothiolan-3-yl)-3-ethoxypropan-2-ol
SMILESCCOCC(O)CC1CCS(=O)(=O)C1
InChIInChI=1S/C9H18O4S/c1-2-13-6-9(10)5-8-3-4-14(11,12)7-8/h8-10H,2-7H2,1H3
InChIKeyPVPYXVNSCUVTNP-UHFFFAOYSA-N
MW222.31 g/mol
LogP0.21
Rot. Bonds5

About 1-(1,1-dioxothiolan-3-yl)-3-ethoxypropan-2-ol

1-(1,1-dioxothiolan-3-yl)-3-ethoxypropan-2-ol (PubChem CID 105111757) has the molecular formula C9H18O4S and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-3-ethoxypropan-2-ol.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-3-ethoxypropan-2-ol
PubChem CID105111757
Molecular FormulaC9H18O4S
Molecular Weight222.31 g/mol
Exact Mass222.09
IUPAC Name1-(1,1-dioxothiolan-3-yl)-3-ethoxypropan-2-ol
SMILESCCOCC(O)CC1CCS(=O)(=O)C1
InChIInChI=1S/C9H18O4S/c1-2-13-6-9(10)5-8-3-4-14(11,12)7-8/h8-10H,2-7H2,1H3
InChIKeyPVPYXVNSCUVTNP-UHFFFAOYSA-N
XLogP0.21
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-3-(1,1-dioxothiolan-3-yl)propan-2-ol
CID 105090384
1-bromo-3-(1,1-dioxothiolan-3-yl)propan-2-ol
CID 155010276
2-[(1,1-dioxothiolan-3-yl)-(3-ethoxy-2-hydroxypropyl)amino]acetic acid
CID 63931578
1-ethoxy-3-(1-methylpyrrolidin-3-yl)propan-2-ol
CID 167259963
1-(1,1-dioxothiolan-3-yl)-3-methylbut-3-en-2-ol
CID 105110471
1-(1,1-dioxothiolan-3-yl)-3-ethoxypropan-2-one
CID 105114648
(2S)-1-ethoxy-3-pyrrolidin-3-ylpropan-2-ol
CID 146397764
3-(1,1-dioxothiolan-3-yl)-2-methylpropanoic acid
CID 84779133
1-[(1,1-dioxothiolan-3-yl)methylamino]-3-methoxypropan-2-ol
CID 63928167
1-(2,6-dimethoxyphenyl)-2-(1,1-dioxothiolan-3-yl)ethanol
CID 105131622
1-(1,3-diethylpyrazol-5-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-ol
CID 105108962
1-(1,1-dioxothiolan-3-yl)-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107065641

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-ethoxypropan-2-ol?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-ethoxypropan-2-ol (CID 105111757) is 1-(1,1-dioxothiolan-3-yl)-3-ethoxypropan-2-ol.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-3-ethoxypropan-2-ol?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-3-ethoxypropan-2-ol is CCOCC(O)CC1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-3-ethoxypropan-2-ol?
The InChIKey is PVPYXVNSCUVTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4S/c1-2-13-6-9(10)5-8-3-4-14(11,12)7-8/h8-10H,2-7H2,1H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-3-ethoxypropan-2-ol?
1-(1,1-dioxothiolan-3-yl)-3-ethoxypropan-2-ol has a molecular weight of 222.31 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-3-ethoxypropan-2-ol is sourced from PubChem (CID 105111757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).