(1R)-1-[(2S,5R)-5-[(2S,5S,9R)-2,9-dimethyl-1,10-dioxaspiro[4.5]decan-2-yl]-2-methyloxolan-2-yl]ethane-1,2-diol

C17H30O5 — CID 14166354

IUPAC(1R)-1-[(2S,5R)-5-[(2S,5S,9R)-2,9-dimethyl-1,10-dioxaspiro[4.5]decan-2-yl]-2-methyloxolan-2-yl]ethane-1,2-diol
SMILESC[C@@H]1CCC[C@]2(CC[C@@](C)([C@H]3CC[C@@](C)([C@H](O)CO)O3)O2)O1
InChIInChI=1S/C17H30O5/c1-12-5-4-7-17(20-12)10-9-16(3,22-17)14-6-8-15(2,21-14)13(19)11-18/h12-14,18-19H,4-11H2,1-3H3/t12-,13-,14-,15+,16+,17+/m1/s1
InChIKeyXCALEKKNRIPROU-FFRIZKCHSA-N
MW314.42 g/mol
LogP2.13
Rot. Bonds3

About (1R)-1-[(2S,5R)-5-[(2S,5S,9R)-2,9-dimethyl-1,10-dioxaspiro[4.5]decan-2-yl]-2-methyloxolan-2-yl]ethane-1,2-diol

(1R)-1-[(2S,5R)-5-[(2S,5S,9R)-2,9-dimethyl-1,10-dioxaspiro[4.5]decan-2-yl]-2-methyloxolan-2-yl]ethane-1,2-diol (PubChem CID 14166354) has the molecular formula C17H30O5 and a molecular weight of 314.42 g/mol. Its IUPAC name is (1R)-1-[(2S,5R)-5-[(2S,5S,9R)-2,9-dimethyl-1,10-dioxaspiro[4.5]decan-2-yl]-2-methyloxolan-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[(2S,5R)-5-[(2S,5S,9R)-2,9-dimethyl-1,10-dioxaspiro[4.5]decan-2-yl]-2-methyloxolan-2-yl]ethane-1,2-diol
PubChem CID14166354
Molecular FormulaC17H30O5
Molecular Weight314.42 g/mol
Exact Mass314.21
IUPAC Name(1R)-1-[(2S,5R)-5-[(2S,5S,9R)-2,9-dimethyl-1,10-dioxaspiro[4.5]decan-2-yl]-2-methyloxolan-2-yl]ethane-1,2-diol
SMILESC[C@@H]1CCC[C@]2(CC[C@@](C)([C@H]3CC[C@@](C)([C@H](O)CO)O3)O2)O1
InChIInChI=1S/C17H30O5/c1-12-5-4-7-17(20-12)10-9-16(3,22-17)14-6-8-15(2,21-14)13(19)11-18/h12-14,18-19H,4-11H2,1-3H3/t12-,13-,14-,15+,16+,17+/m1/s1
InChIKeyXCALEKKNRIPROU-FFRIZKCHSA-N
XLogP2.13
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1R)-1-[(2S,5R)-5-[(2S,5S,9R)-2,9-dimethyl-1,10-dioxaspiro[4.5]decan-2-yl]-2-methyloxolan-2-yl]ethane-1,2-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S,5R)-5-[(2S,5S,9R)-2,9-dimethyl-1,10-dioxaspiro[4.5]decan-2-yl]-2-methyloxolan-2-yl]ethane-1,2-diol?
The IUPAC name of (1R)-1-[(2S,5R)-5-[(2S,5S,9R)-2,9-dimethyl-1,10-dioxaspiro[4.5]decan-2-yl]-2-methyloxolan-2-yl]ethane-1,2-diol (CID 14166354) is (1R)-1-[(2S,5R)-5-[(2S,5S,9R)-2,9-dimethyl-1,10-dioxaspiro[4.5]decan-2-yl]-2-methyloxolan-2-yl]ethane-1,2-diol.
What is the SMILES notation for (1R)-1-[(2S,5R)-5-[(2S,5S,9R)-2,9-dimethyl-1,10-dioxaspiro[4.5]decan-2-yl]-2-methyloxolan-2-yl]ethane-1,2-diol?
The canonical SMILES for (1R)-1-[(2S,5R)-5-[(2S,5S,9R)-2,9-dimethyl-1,10-dioxaspiro[4.5]decan-2-yl]-2-methyloxolan-2-yl]ethane-1,2-diol is C[C@@H]1CCC[C@]2(CC[C@@](C)([C@H]3CC[C@@](C)([C@H](O)CO)O3)O2)O1.
What is the InChIKey of (1R)-1-[(2S,5R)-5-[(2S,5S,9R)-2,9-dimethyl-1,10-dioxaspiro[4.5]decan-2-yl]-2-methyloxolan-2-yl]ethane-1,2-diol?
The InChIKey is XCALEKKNRIPROU-FFRIZKCHSA-N. The full InChI is InChI=1S/C17H30O5/c1-12-5-4-7-17(20-12)10-9-16(3,22-17)14-6-8-15(2,21-14)13(19)11-18/h12-14,18-19H,4-11H2,1-3H3/t12-,13-,14-,15+,16+,17+/m1/s1.
What are the key properties of (1R)-1-[(2S,5R)-5-[(2S,5S,9R)-2,9-dimethyl-1,10-dioxaspiro[4.5]decan-2-yl]-2-methyloxolan-2-yl]ethane-1,2-diol?
(1R)-1-[(2S,5R)-5-[(2S,5S,9R)-2,9-dimethyl-1,10-dioxaspiro[4.5]decan-2-yl]-2-methyloxolan-2-yl]ethane-1,2-diol has a molecular weight of 314.42 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S,5R)-5-[(2S,5S,9R)-2,9-dimethyl-1,10-dioxaspiro[4.5]decan-2-yl]-2-methyloxolan-2-yl]ethane-1,2-diol is sourced from PubChem (CID 14166354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).