(2S,5R,7R,9R,10S)-7-(2-hydroxyethyl)-2-methyl-1,6-dioxaspiro[4.5]decane-9,10-diol

C11H20O5 — CID 16746177

IUPAC(2S,5R,7R,9R,10S)-7-(2-hydroxyethyl)-2-methyl-1,6-dioxaspiro[4.5]decane-9,10-diol
SMILESC[C@H]1CC[C@]2(O[C@H](CCO)C[C@@H](O)[C@@H]2O)O1
InChIInChI=1S/C11H20O5/c1-7-2-4-11(15-7)10(14)9(13)6-8(16-11)3-5-12/h7-10,12-14H,2-6H2,1H3/t7-,8+,9+,10-,11+/m0/s1
InChIKeyQFIGEICYFVBHEQ-UNQZSWDGSA-N
MW232.28 g/mol
LogP-0.23
Rot. Bonds2

About (2S,5R,7R,9R,10S)-7-(2-hydroxyethyl)-2-methyl-1,6-dioxaspiro[4.5]decane-9,10-diol

(2S,5R,7R,9R,10S)-7-(2-hydroxyethyl)-2-methyl-1,6-dioxaspiro[4.5]decane-9,10-diol (PubChem CID 16746177) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2S,5R,7R,9R,10S)-7-(2-hydroxyethyl)-2-methyl-1,6-dioxaspiro[4.5]decane-9,10-diol.

Molecular Properties

Compound Name(2S,5R,7R,9R,10S)-7-(2-hydroxyethyl)-2-methyl-1,6-dioxaspiro[4.5]decane-9,10-diol
PubChem CID16746177
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name(2S,5R,7R,9R,10S)-7-(2-hydroxyethyl)-2-methyl-1,6-dioxaspiro[4.5]decane-9,10-diol
SMILESC[C@H]1CC[C@]2(O[C@H](CCO)C[C@@H](O)[C@@H]2O)O1
InChIInChI=1S/C11H20O5/c1-7-2-4-11(15-7)10(14)9(13)6-8(16-11)3-5-12/h7-10,12-14H,2-6H2,1H3/t7-,8+,9+,10-,11+/m0/s1
InChIKeyQFIGEICYFVBHEQ-UNQZSWDGSA-N
XLogP-0.23
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,5R,7R,9R,10S)-7-(2-hydroxyethyl)-2-methyl-1,6-dioxaspiro[4.5]decane-9,10-diol?
The IUPAC name of (2S,5R,7R,9R,10S)-7-(2-hydroxyethyl)-2-methyl-1,6-dioxaspiro[4.5]decane-9,10-diol (CID 16746177) is (2S,5R,7R,9R,10S)-7-(2-hydroxyethyl)-2-methyl-1,6-dioxaspiro[4.5]decane-9,10-diol.
What is the SMILES notation for (2S,5R,7R,9R,10S)-7-(2-hydroxyethyl)-2-methyl-1,6-dioxaspiro[4.5]decane-9,10-diol?
The canonical SMILES for (2S,5R,7R,9R,10S)-7-(2-hydroxyethyl)-2-methyl-1,6-dioxaspiro[4.5]decane-9,10-diol is C[C@H]1CC[C@]2(O[C@H](CCO)C[C@@H](O)[C@@H]2O)O1.
What is the InChIKey of (2S,5R,7R,9R,10S)-7-(2-hydroxyethyl)-2-methyl-1,6-dioxaspiro[4.5]decane-9,10-diol?
The InChIKey is QFIGEICYFVBHEQ-UNQZSWDGSA-N. The full InChI is InChI=1S/C11H20O5/c1-7-2-4-11(15-7)10(14)9(13)6-8(16-11)3-5-12/h7-10,12-14H,2-6H2,1H3/t7-,8+,9+,10-,11+/m0/s1.
What are the key properties of (2S,5R,7R,9R,10S)-7-(2-hydroxyethyl)-2-methyl-1,6-dioxaspiro[4.5]decane-9,10-diol?
(2S,5R,7R,9R,10S)-7-(2-hydroxyethyl)-2-methyl-1,6-dioxaspiro[4.5]decane-9,10-diol has a molecular weight of 232.28 g/mol, XLogP of -0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R,7R,9R,10S)-7-(2-hydroxyethyl)-2-methyl-1,6-dioxaspiro[4.5]decane-9,10-diol is sourced from PubChem (CID 16746177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).