(1R)-1-[(1S,2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-dihydroxyethyl]-3,3-dimethylcyclopropane-1,2-diol

C12H22O6 — CID 18596445

IUPAC(1R)-1-[(1S,2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-dihydroxyethyl]-3,3-dimethylcyclopropane-1,2-diol
SMILESCC1(C)OC[C@H]([C@@H](O)[C@H](O)[C@]2(O)C(O)C2(C)C)O1
InChIInChI=1S/C12H22O6/c1-10(2)9(15)12(10,16)8(14)7(13)6-5-17-11(3,4)18-6/h6-9,13-16H,5H2,1-4H3/t6-,7-,8+,9?,12+/m1/s1
InChIKeyZLUGQEBPAJDRSP-WZWRAMDVSA-N
MW262.30 g/mol
LogP-1.01
Rot. Bonds3

About (1R)-1-[(1S,2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-dihydroxyethyl]-3,3-dimethylcyclopropane-1,2-diol

(1R)-1-[(1S,2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-dihydroxyethyl]-3,3-dimethylcyclopropane-1,2-diol (PubChem CID 18596445) has the molecular formula C12H22O6 and a molecular weight of 262.30 g/mol. Its IUPAC name is (1R)-1-[(1S,2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-dihydroxyethyl]-3,3-dimethylcyclopropane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[(1S,2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-dihydroxyethyl]-3,3-dimethylcyclopropane-1,2-diol
PubChem CID18596445
Molecular FormulaC12H22O6
Molecular Weight262.30 g/mol
Exact Mass262.14
IUPAC Name(1R)-1-[(1S,2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-dihydroxyethyl]-3,3-dimethylcyclopropane-1,2-diol
SMILESCC1(C)OC[C@H]([C@@H](O)[C@H](O)[C@]2(O)C(O)C2(C)C)O1
InChIInChI=1S/C12H22O6/c1-10(2)9(15)12(10,16)8(14)7(13)6-5-17-11(3,4)18-6/h6-9,13-16H,5H2,1-4H3/t6-,7-,8+,9?,12+/m1/s1
InChIKeyZLUGQEBPAJDRSP-WZWRAMDVSA-N
XLogP-1.01
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1S,2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-dihydroxyethyl]-3,3-dimethylcyclopropane-1,2-diol?
The IUPAC name of (1R)-1-[(1S,2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-dihydroxyethyl]-3,3-dimethylcyclopropane-1,2-diol (CID 18596445) is (1R)-1-[(1S,2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-dihydroxyethyl]-3,3-dimethylcyclopropane-1,2-diol.
What is the SMILES notation for (1R)-1-[(1S,2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-dihydroxyethyl]-3,3-dimethylcyclopropane-1,2-diol?
The canonical SMILES for (1R)-1-[(1S,2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-dihydroxyethyl]-3,3-dimethylcyclopropane-1,2-diol is CC1(C)OC[C@H]([C@@H](O)[C@H](O)[C@]2(O)C(O)C2(C)C)O1.
What is the InChIKey of (1R)-1-[(1S,2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-dihydroxyethyl]-3,3-dimethylcyclopropane-1,2-diol?
The InChIKey is ZLUGQEBPAJDRSP-WZWRAMDVSA-N. The full InChI is InChI=1S/C12H22O6/c1-10(2)9(15)12(10,16)8(14)7(13)6-5-17-11(3,4)18-6/h6-9,13-16H,5H2,1-4H3/t6-,7-,8+,9?,12+/m1/s1.
What are the key properties of (1R)-1-[(1S,2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-dihydroxyethyl]-3,3-dimethylcyclopropane-1,2-diol?
(1R)-1-[(1S,2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-dihydroxyethyl]-3,3-dimethylcyclopropane-1,2-diol has a molecular weight of 262.30 g/mol, XLogP of -1.01, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1S,2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-dihydroxyethyl]-3,3-dimethylcyclopropane-1,2-diol is sourced from PubChem (CID 18596445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).