(4S,5S)-2,2,5-trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxan-5-ol

C13H24O5 — CID 11747341

IUPAC(4S,5S)-2,2,5-trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxan-5-ol
SMILESCC1(C)OC[C@](C)(O)[C@H](CCC2(C)OCCO2)O1
InChIInChI=1S/C13H24O5/c1-11(2)17-9-12(3,14)10(18-11)5-6-13(4)15-7-8-16-13/h10,14H,5-9H2,1-4H3/t10-,12-/m0/s1
InChIKeyJKHKDEJSVKTIOV-JQWIXIFHSA-N
MW260.33 g/mol
LogP1.43
Rot. Bonds3

About (4S,5S)-2,2,5-trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxan-5-ol

(4S,5S)-2,2,5-trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxan-5-ol (PubChem CID 11747341) has the molecular formula C13H24O5 and a molecular weight of 260.33 g/mol. Its IUPAC name is (4S,5S)-2,2,5-trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxan-5-ol.

Molecular Properties

Compound Name(4S,5S)-2,2,5-trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxan-5-ol
PubChem CID11747341
Molecular FormulaC13H24O5
Molecular Weight260.33 g/mol
Exact Mass260.16
IUPAC Name(4S,5S)-2,2,5-trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxan-5-ol
SMILESCC1(C)OC[C@](C)(O)[C@H](CCC2(C)OCCO2)O1
InChIInChI=1S/C13H24O5/c1-11(2)17-9-12(3,14)10(18-11)5-6-13(4)15-7-8-16-13/h10,14H,5-9H2,1-4H3/t10-,12-/m0/s1
InChIKeyJKHKDEJSVKTIOV-JQWIXIFHSA-N
XLogP1.43
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2,2,5-trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxan-5-ol?
The IUPAC name of (4S,5S)-2,2,5-trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxan-5-ol (CID 11747341) is (4S,5S)-2,2,5-trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxan-5-ol.
What is the SMILES notation for (4S,5S)-2,2,5-trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxan-5-ol?
The canonical SMILES for (4S,5S)-2,2,5-trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxan-5-ol is CC1(C)OC[C@](C)(O)[C@H](CCC2(C)OCCO2)O1.
What is the InChIKey of (4S,5S)-2,2,5-trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxan-5-ol?
The InChIKey is JKHKDEJSVKTIOV-JQWIXIFHSA-N. The full InChI is InChI=1S/C13H24O5/c1-11(2)17-9-12(3,14)10(18-11)5-6-13(4)15-7-8-16-13/h10,14H,5-9H2,1-4H3/t10-,12-/m0/s1.
What are the key properties of (4S,5S)-2,2,5-trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxan-5-ol?
(4S,5S)-2,2,5-trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxan-5-ol has a molecular weight of 260.33 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2,2,5-trimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxan-5-ol is sourced from PubChem (CID 11747341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).