2-(2-methyl-1,3-dioxolan-2-yl)-1-(2-propan-2-yl-1,3-dithian-2-yl)ethanol

C13H24O3S2 — CID 10989993

IUPAC2-(2-methyl-1,3-dioxolan-2-yl)-1-(2-propan-2-yl-1,3-dithian-2-yl)ethanol
SMILESCC(C)C1(C(O)CC2(C)OCCO2)SCCCS1
InChIInChI=1S/C13H24O3S2/c1-10(2)13(17-7-4-8-18-13)11(14)9-12(3)15-5-6-16-12/h10-11,14H,4-9H2,1-3H3
InChIKeyWTDJQPQVWBFZLO-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.72
Rot. Bonds4

About 2-(2-methyl-1,3-dioxolan-2-yl)-1-(2-propan-2-yl-1,3-dithian-2-yl)ethanol

2-(2-methyl-1,3-dioxolan-2-yl)-1-(2-propan-2-yl-1,3-dithian-2-yl)ethanol (PubChem CID 10989993) has the molecular formula C13H24O3S2 and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-(2-methyl-1,3-dioxolan-2-yl)-1-(2-propan-2-yl-1,3-dithian-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-methyl-1,3-dioxolan-2-yl)-1-(2-propan-2-yl-1,3-dithian-2-yl)ethanol
PubChem CID10989993
Molecular FormulaC13H24O3S2
Molecular Weight292.47 g/mol
Exact Mass292.12
IUPAC Name2-(2-methyl-1,3-dioxolan-2-yl)-1-(2-propan-2-yl-1,3-dithian-2-yl)ethanol
SMILESCC(C)C1(C(O)CC2(C)OCCO2)SCCCS1
InChIInChI=1S/C13H24O3S2/c1-10(2)13(17-7-4-8-18-13)11(14)9-12(3)15-5-6-16-12/h10-11,14H,4-9H2,1-3H3
InChIKeyWTDJQPQVWBFZLO-UHFFFAOYSA-N
XLogP2.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-methyl-1,3-dioxolan-2-yl)-1-(2-propan-2-yl-1,3-dithian-2-yl)ethanol with MolForge

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Related Compounds

3-(2-methyl-1,3-dioxolan-2-yl)propane-1,2-diol
CID 71381727
(2R)-1-[2-[(2R)-2-hydroxypropyl]-1,3-dithian-2-yl]propan-2-ol
CID 135069547
2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propane-1,3-diol
CID 86098194
4-(2-methyl-1,3-dioxolan-2-yl)-3-nitrobutan-2-ol
CID 13303205
trimethyl-[2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]silane
CID 10710872
(2S)-1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-amine
CID 130723566
2-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexan-3-ol
CID 14689313
(2S)-1-[2-[tert-butyl(dimethyl)silyl]-1,3-dithian-2-yl]-3-(2-propan-2-yl-1,3-dithian-2-yl)propan-2-ol
CID 101388822
2,2-difluoro-2-(1-hydroxycyclopentyl)-N-[(2R)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]acetamide
CID 124742501
2-[(2R)-5-iodo-2-methylpentyl]-2-methyl-1,3-dioxolane
CID 10990159
2,2-dimethyl-1,3-dithiane;2-methylpropane
CID 144926303
ethyl (E,4R,5R)-5-hydroxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-enoate
CID 46849797

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-dioxolan-2-yl)-1-(2-propan-2-yl-1,3-dithian-2-yl)ethanol?
The IUPAC name of 2-(2-methyl-1,3-dioxolan-2-yl)-1-(2-propan-2-yl-1,3-dithian-2-yl)ethanol (CID 10989993) is 2-(2-methyl-1,3-dioxolan-2-yl)-1-(2-propan-2-yl-1,3-dithian-2-yl)ethanol.
What is the SMILES notation for 2-(2-methyl-1,3-dioxolan-2-yl)-1-(2-propan-2-yl-1,3-dithian-2-yl)ethanol?
The canonical SMILES for 2-(2-methyl-1,3-dioxolan-2-yl)-1-(2-propan-2-yl-1,3-dithian-2-yl)ethanol is CC(C)C1(C(O)CC2(C)OCCO2)SCCCS1.
What is the InChIKey of 2-(2-methyl-1,3-dioxolan-2-yl)-1-(2-propan-2-yl-1,3-dithian-2-yl)ethanol?
The InChIKey is WTDJQPQVWBFZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3S2/c1-10(2)13(17-7-4-8-18-13)11(14)9-12(3)15-5-6-16-12/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 2-(2-methyl-1,3-dioxolan-2-yl)-1-(2-propan-2-yl-1,3-dithian-2-yl)ethanol?
2-(2-methyl-1,3-dioxolan-2-yl)-1-(2-propan-2-yl-1,3-dithian-2-yl)ethanol has a molecular weight of 292.47 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-dioxolan-2-yl)-1-(2-propan-2-yl-1,3-dithian-2-yl)ethanol is sourced from PubChem (CID 10989993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).