1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-(1,3-dithiolan-2-yl)ethanol

C10H18O3S2 — CID 143235565

IUPAC1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-(1,3-dithiolan-2-yl)ethanol
SMILESCC1(C)OCC(C(O)CC2SCCS2)O1
InChIInChI=1S/C10H18O3S2/c1-10(2)12-6-8(13-10)7(11)5-9-14-3-4-15-9/h7-9,11H,3-6H2,1-2H3
InChIKeyHZPHJWLPFVRSHR-UHFFFAOYSA-N
MW250.38 g/mol
LogP1.70
Rot. Bonds3

About 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-(1,3-dithiolan-2-yl)ethanol

1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-(1,3-dithiolan-2-yl)ethanol (PubChem CID 143235565) has the molecular formula C10H18O3S2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-(1,3-dithiolan-2-yl)ethanol.

Molecular Properties

Compound Name1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-(1,3-dithiolan-2-yl)ethanol
PubChem CID143235565
Molecular FormulaC10H18O3S2
Molecular Weight250.38 g/mol
Exact Mass250.07
IUPAC Name1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-(1,3-dithiolan-2-yl)ethanol
SMILESCC1(C)OCC(C(O)CC2SCCS2)O1
InChIInChI=1S/C10H18O3S2/c1-10(2)12-6-8(13-10)7(11)5-9-14-3-4-15-9/h7-9,11H,3-6H2,1-2H3
InChIKeyHZPHJWLPFVRSHR-UHFFFAOYSA-N
XLogP1.70
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-(1,3-dithiolan-2-yl)ethanol?
The IUPAC name of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-(1,3-dithiolan-2-yl)ethanol (CID 143235565) is 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-(1,3-dithiolan-2-yl)ethanol.
What is the SMILES notation for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-(1,3-dithiolan-2-yl)ethanol?
The canonical SMILES for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-(1,3-dithiolan-2-yl)ethanol is CC1(C)OCC(C(O)CC2SCCS2)O1.
What is the InChIKey of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-(1,3-dithiolan-2-yl)ethanol?
The InChIKey is HZPHJWLPFVRSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S2/c1-10(2)12-6-8(13-10)7(11)5-9-14-3-4-15-9/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-(1,3-dithiolan-2-yl)ethanol?
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-(1,3-dithiolan-2-yl)ethanol has a molecular weight of 250.38 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-(1,3-dithiolan-2-yl)ethanol is sourced from PubChem (CID 143235565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).