[(7S,8R)-8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol

C9H16O4 — CID 13235313

IUPAC[(7S,8R)-8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol
SMILESOC[C@@H]1CC2(C[C@@H]1CO)OCCO2
InChIInChI=1S/C9H16O4/c10-5-7-3-9(4-8(7)6-11)12-1-2-13-9/h7-8,10-11H,1-6H2/t7-,8+
InChIKeyVEAUZHKVSJXEPT-OCAPTIKFSA-N
MW188.22 g/mol
LogP-0.26
Rot. Bonds2

About [(7S,8R)-8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol

[(7S,8R)-8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol (PubChem CID 13235313) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is [(7S,8R)-8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol.

Molecular Properties

Compound Name[(7S,8R)-8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol
PubChem CID13235313
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name[(7S,8R)-8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol
SMILESOC[C@@H]1CC2(C[C@@H]1CO)OCCO2
InChIInChI=1S/C9H16O4/c10-5-7-3-9(4-8(7)6-11)12-1-2-13-9/h7-8,10-11H,1-6H2/t7-,8+
InChIKeyVEAUZHKVSJXEPT-OCAPTIKFSA-N
XLogP-0.26
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(7S,8R)-8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol?
The IUPAC name of [(7S,8R)-8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol (CID 13235313) is [(7S,8R)-8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol.
What is the SMILES notation for [(7S,8R)-8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol?
The canonical SMILES for [(7S,8R)-8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol is OC[C@@H]1CC2(C[C@@H]1CO)OCCO2.
What is the InChIKey of [(7S,8R)-8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol?
The InChIKey is VEAUZHKVSJXEPT-OCAPTIKFSA-N. The full InChI is InChI=1S/C9H16O4/c10-5-7-3-9(4-8(7)6-11)12-1-2-13-9/h7-8,10-11H,1-6H2/t7-,8+.
What are the key properties of [(7S,8R)-8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol?
[(7S,8R)-8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol has a molecular weight of 188.22 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S,8R)-8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol is sourced from PubChem (CID 13235313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).