7,7-bis(hydroxymethyl)-1,4-dioxaspiro[4.5]decan-8-one

C10H16O5 — CID 567221

IUPAC7,7-bis(hydroxymethyl)-1,4-dioxaspiro[4.5]decan-8-one
SMILESO=C1CCC2(CC1(CO)CO)OCCO2
InChIInChI=1S/C10H16O5/c11-6-9(7-12)5-10(2-1-8(9)13)14-3-4-15-10/h11-12H,1-7H2
InChIKeyDLOWOBFJAYJTFM-UHFFFAOYSA-N
MW216.23 g/mol
LogP-0.55
Rot. Bonds2

About 7,7-bis(hydroxymethyl)-1,4-dioxaspiro[4.5]decan-8-one

7,7-bis(hydroxymethyl)-1,4-dioxaspiro[4.5]decan-8-one (PubChem CID 567221) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 7,7-bis(hydroxymethyl)-1,4-dioxaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name7,7-bis(hydroxymethyl)-1,4-dioxaspiro[4.5]decan-8-one
PubChem CID567221
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name7,7-bis(hydroxymethyl)-1,4-dioxaspiro[4.5]decan-8-one
SMILESO=C1CCC2(CC1(CO)CO)OCCO2
InChIInChI=1S/C10H16O5/c11-6-9(7-12)5-10(2-1-8(9)13)14-3-4-15-10/h11-12H,1-7H2
InChIKeyDLOWOBFJAYJTFM-UHFFFAOYSA-N
XLogP-0.55
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,7-bis(hydroxymethyl)-1,4-dioxaspiro[4.5]decan-8-one?
The IUPAC name of 7,7-bis(hydroxymethyl)-1,4-dioxaspiro[4.5]decan-8-one (CID 567221) is 7,7-bis(hydroxymethyl)-1,4-dioxaspiro[4.5]decan-8-one.
What is the SMILES notation for 7,7-bis(hydroxymethyl)-1,4-dioxaspiro[4.5]decan-8-one?
The canonical SMILES for 7,7-bis(hydroxymethyl)-1,4-dioxaspiro[4.5]decan-8-one is O=C1CCC2(CC1(CO)CO)OCCO2.
What is the InChIKey of 7,7-bis(hydroxymethyl)-1,4-dioxaspiro[4.5]decan-8-one?
The InChIKey is DLOWOBFJAYJTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c11-6-9(7-12)5-10(2-1-8(9)13)14-3-4-15-10/h11-12H,1-7H2.
What are the key properties of 7,7-bis(hydroxymethyl)-1,4-dioxaspiro[4.5]decan-8-one?
7,7-bis(hydroxymethyl)-1,4-dioxaspiro[4.5]decan-8-one has a molecular weight of 216.23 g/mol, XLogP of -0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-bis(hydroxymethyl)-1,4-dioxaspiro[4.5]decan-8-one is sourced from PubChem (CID 567221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).