[8-(hydroxymethyl)-7,9-diphenyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol

C22H26O4 — CID 5051864

IUPAC[8-(hydroxymethyl)-7,9-diphenyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol
SMILESOCC1(CO)C(c2ccccc2)CC2(CC1c1ccccc1)OCCO2
InChIInChI=1S/C22H26O4/c23-15-21(16-24)19(17-7-3-1-4-8-17)13-22(25-11-12-26-22)14-20(21)18-9-5-2-6-10-18/h1-10,19-20,23-24H,11-16H2
InChIKeyUAIJEHKRDFNUHF-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.06
Rot. Bonds4

About [8-(hydroxymethyl)-7,9-diphenyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol

[8-(hydroxymethyl)-7,9-diphenyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol (PubChem CID 5051864) has the molecular formula C22H26O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is [8-(hydroxymethyl)-7,9-diphenyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol.

Molecular Properties

Compound Name[8-(hydroxymethyl)-7,9-diphenyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol
PubChem CID5051864
Molecular FormulaC22H26O4
Molecular Weight354.45 g/mol
Exact Mass354.18
IUPAC Name[8-(hydroxymethyl)-7,9-diphenyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol
SMILESOCC1(CO)C(c2ccccc2)CC2(CC1c1ccccc1)OCCO2
InChIInChI=1S/C22H26O4/c23-15-21(16-24)19(17-7-3-1-4-8-17)13-22(25-11-12-26-22)14-20(21)18-9-5-2-6-10-18/h1-10,19-20,23-24H,11-16H2
InChIKeyUAIJEHKRDFNUHF-UHFFFAOYSA-N
XLogP3.06
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [8-(hydroxymethyl)-7,9-diphenyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol?
The IUPAC name of [8-(hydroxymethyl)-7,9-diphenyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol (CID 5051864) is [8-(hydroxymethyl)-7,9-diphenyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol.
What is the SMILES notation for [8-(hydroxymethyl)-7,9-diphenyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol?
The canonical SMILES for [8-(hydroxymethyl)-7,9-diphenyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol is OCC1(CO)C(c2ccccc2)CC2(CC1c1ccccc1)OCCO2.
What is the InChIKey of [8-(hydroxymethyl)-7,9-diphenyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol?
The InChIKey is UAIJEHKRDFNUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O4/c23-15-21(16-24)19(17-7-3-1-4-8-17)13-22(25-11-12-26-22)14-20(21)18-9-5-2-6-10-18/h1-10,19-20,23-24H,11-16H2.
What are the key properties of [8-(hydroxymethyl)-7,9-diphenyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol?
[8-(hydroxymethyl)-7,9-diphenyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol has a molecular weight of 354.45 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(hydroxymethyl)-7,9-diphenyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol is sourced from PubChem (CID 5051864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).