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

C12H22O6 — CID 18654177

IUPACtrans-(1R,2R)-1-[(1R)-1,2-dihydroxyethyl]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-dimethylcyclopropane-1,2-diol
SMILESCC1(C)OC[C@H]([C@]2(O)C(C)(C)[C@@]2(O)[C@H](O)CO)O1
InChIInChI=1S/C12H22O6/c1-9(2)11(15,7(14)5-13)12(9,16)8-6-17-10(3,4)18-8/h7-8,13-16H,5-6H2,1-4H3/t7-,8-,11+,12+/m1/s1
InChIKeyCPCIUYQRZNOHGW-FUAUIPCOSA-N
MW262.30 g/mol
LogP-1.01
Rot. Bonds3

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

trans-(1R,2R)-1-[(1R)-1,2-dihydroxyethyl]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-dimethylcyclopropane-1,2-diol (PubChem CID 18654177) has the molecular formula C12H22O6 and a molecular weight of 262.30 g/mol. Its IUPAC name is trans-(1R,2R)-1-[(1R)-1,2-dihydroxyethyl]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-dimethylcyclopropane-1,2-diol.

Molecular Properties

Compound Nametrans-(1R,2R)-1-[(1R)-1,2-dihydroxyethyl]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-dimethylcyclopropane-1,2-diol
PubChem CID18654177
Molecular FormulaC12H22O6
Molecular Weight262.30 g/mol
Exact Mass262.14
IUPAC Nametrans-(1R,2R)-1-[(1R)-1,2-dihydroxyethyl]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-dimethylcyclopropane-1,2-diol
SMILESCC1(C)OC[C@H]([C@]2(O)C(C)(C)[C@@]2(O)[C@H](O)CO)O1
InChIInChI=1S/C12H22O6/c1-9(2)11(15,7(14)5-13)12(9,16)8-6-17-10(3,4)18-8/h7-8,13-16H,5-6H2,1-4H3/t7-,8-,11+,12+/m1/s1
InChIKeyCPCIUYQRZNOHGW-FUAUIPCOSA-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 trans-(1R,2R)-1-[(1R)-1,2-dihydroxyethyl]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-dimethylcyclopropane-1,2-diol?
The IUPAC name of trans-(1R,2R)-1-[(1R)-1,2-dihydroxyethyl]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-dimethylcyclopropane-1,2-diol (CID 18654177) is trans-(1R,2R)-1-[(1R)-1,2-dihydroxyethyl]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-dimethylcyclopropane-1,2-diol.
What is the SMILES notation for trans-(1R,2R)-1-[(1R)-1,2-dihydroxyethyl]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-dimethylcyclopropane-1,2-diol?
The canonical SMILES for trans-(1R,2R)-1-[(1R)-1,2-dihydroxyethyl]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-dimethylcyclopropane-1,2-diol is CC1(C)OC[C@H]([C@]2(O)C(C)(C)[C@@]2(O)[C@H](O)CO)O1.
What is the InChIKey of trans-(1R,2R)-1-[(1R)-1,2-dihydroxyethyl]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-dimethylcyclopropane-1,2-diol?
The InChIKey is CPCIUYQRZNOHGW-FUAUIPCOSA-N. The full InChI is InChI=1S/C12H22O6/c1-9(2)11(15,7(14)5-13)12(9,16)8-6-17-10(3,4)18-8/h7-8,13-16H,5-6H2,1-4H3/t7-,8-,11+,12+/m1/s1.
What are the key properties of trans-(1R,2R)-1-[(1R)-1,2-dihydroxyethyl]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-dimethylcyclopropane-1,2-diol?
trans-(1R,2R)-1-[(1R)-1,2-dihydroxyethyl]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-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 trans-(1R,2R)-1-[(1R)-1,2-dihydroxyethyl]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-dimethylcyclopropane-1,2-diol is sourced from PubChem (CID 18654177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).