(4R,5S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolane

C13H24O5 — CID 155196447

IUPAC(4R,5S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolane
SMILESCCOC[C@@H]1OC(C)(C)O[C@H]1[C@@H]1COC(C)(C)O1
InChIInChI=1S/C13H24O5/c1-6-14-7-9-11(18-13(4,5)17-9)10-8-15-12(2,3)16-10/h9-11H,6-8H2,1-5H3/t9-,10-,11+/m0/s1
InChIKeyGKWLRODYDBGAHC-GARJFASQSA-N
MW260.33 g/mol
LogP1.69
Rot. Bonds4

About (4R,5S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolane

(4R,5S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolane (PubChem CID 155196447) has the molecular formula C13H24O5 and a molecular weight of 260.33 g/mol. Its IUPAC name is (4R,5S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolane
PubChem CID155196447
Molecular FormulaC13H24O5
Molecular Weight260.33 g/mol
Exact Mass260.16
IUPAC Name(4R,5S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolane
SMILESCCOC[C@@H]1OC(C)(C)O[C@H]1[C@@H]1COC(C)(C)O1
InChIInChI=1S/C13H24O5/c1-6-14-7-9-11(18-13(4,5)17-9)10-8-15-12(2,3)16-10/h9-11H,6-8H2,1-5H3/t9-,10-,11+/m0/s1
InChIKeyGKWLRODYDBGAHC-GARJFASQSA-N
XLogP1.69
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3aR,5S,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-(ethoxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 170196280
[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2-methylprop-2-enoate
CID 19761985
[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2-chloroacetate
CID 118047583
ethyl 3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxopropanoate
CID 11088377
N-[[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]hydroxylamine
CID 14055190
2-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 11265049
[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate
CID 13122564
(4S,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5-[[4-[(4-phenylmethoxyphenyl)methyl]phenoxy]methyl]-1,3-dioxolane
CID 18666558
propan-2-yl 3-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxopropanoate
CID 101115463
(4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5-[(2R)-3-methyloxiran-2-yl]-1,3-dioxolane
CID 102250343
(4R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 122385251
(4S,5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 12651668

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4R,5S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolane (CID 155196447) is (4R,5S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R,5S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R,5S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolane is CCOC[C@@H]1OC(C)(C)O[C@H]1[C@@H]1COC(C)(C)O1.
What is the InChIKey of (4R,5S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolane?
The InChIKey is GKWLRODYDBGAHC-GARJFASQSA-N. The full InChI is InChI=1S/C13H24O5/c1-6-14-7-9-11(18-13(4,5)17-9)10-8-15-12(2,3)16-10/h9-11H,6-8H2,1-5H3/t9-,10-,11+/m0/s1.
What are the key properties of (4R,5S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolane?
(4R,5S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolane has a molecular weight of 260.33 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 155196447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).