2,2-bis[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxymethyl]propane-1,3-diol

C27H48O6 — CID 169171968

IUPAC2,2-bis[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxymethyl]propane-1,3-diol
SMILESCC1(C)CCC2(CCC(OCC(CO)(CO)COC3CCC4(CCC(C)(C)CC4)O3)O2)CC1
InChIInChI=1S/C27H48O6/c1-23(2)9-13-26(14-10-23)7-5-21(32-26)30-19-25(17-28,18-29)20-31-22-6-8-27(33-22)15-11-24(3,4)12-16-27/h21-22,28-29H,5-20H2,1-4H3
InChIKeyCGYXUZWZHBPFPH-UHFFFAOYSA-N
MW468.68 g/mol
LogP4.94
Rot. Bonds8

About 2,2-bis[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxymethyl]propane-1,3-diol

2,2-bis[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxymethyl]propane-1,3-diol (PubChem CID 169171968) has the molecular formula C27H48O6 and a molecular weight of 468.68 g/mol. Its IUPAC name is 2,2-bis[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxymethyl]propane-1,3-diol.

Molecular Properties

Compound Name2,2-bis[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxymethyl]propane-1,3-diol
PubChem CID169171968
Molecular FormulaC27H48O6
Molecular Weight468.68 g/mol
Exact Mass468.35
IUPAC Name2,2-bis[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxymethyl]propane-1,3-diol
SMILESCC1(C)CCC2(CCC(OCC(CO)(CO)COC3CCC4(CCC(C)(C)CC4)O3)O2)CC1
InChIInChI=1S/C27H48O6/c1-23(2)9-13-26(14-10-23)7-5-21(32-26)30-19-25(17-28,18-29)20-31-22-6-8-27(33-22)15-11-24(3,4)12-16-27/h21-22,28-29H,5-20H2,1-4H3
InChIKeyCGYXUZWZHBPFPH-UHFFFAOYSA-N
XLogP4.94
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.68
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,2-bis[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxymethyl]propane-1,3-diol with MolForge

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Related Compounds

3-[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxy]-2,2-dimethylpropan-1-ol
CID 169171978
2-[[(2S)-8-tert-butyl-1-oxaspiro[4.5]decan-2-yl]oxy]ethanol
CID 169171995
2-ethoxy-1-oxaspiro[4.4]nonane
CID 549196
2-[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxy]cyclohexan-1-ol
CID 169171951
2-ethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-ol
CID 102902006
2-[5-(hydroxymethyl)-5-methyloxolan-2-yl]oxypropan-2-ol
CID 123283726
2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diol
CID 102902443
2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethylbutan-1-ol
CID 116525112
(2,5-diethoxyoxolan-2-yl)methanol
CID 150634003
2-[(5,5-dimethyloxolan-2-yl)methyl]-2-propylpropane-1,3-diol
CID 116525290
[(2S,3S)-3-methyl-2-[(3R)-3-methyl-4-(oxan-2-yloxy)butyl]oxiran-2-yl]methanol
CID 10400301
2-ethyl-2-[[4-[2-ethyl-2-(hydroxymethyl)hexoxy]cyclohexyl]oxymethyl]hexan-1-ol
CID 130308388

Frequently Asked Questions

What is the IUPAC name of 2,2-bis[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxymethyl]propane-1,3-diol?
The IUPAC name of 2,2-bis[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxymethyl]propane-1,3-diol (CID 169171968) is 2,2-bis[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxymethyl]propane-1,3-diol.
What is the SMILES notation for 2,2-bis[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxymethyl]propane-1,3-diol?
The canonical SMILES for 2,2-bis[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxymethyl]propane-1,3-diol is CC1(C)CCC2(CCC(OCC(CO)(CO)COC3CCC4(CCC(C)(C)CC4)O3)O2)CC1.
What is the InChIKey of 2,2-bis[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxymethyl]propane-1,3-diol?
The InChIKey is CGYXUZWZHBPFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48O6/c1-23(2)9-13-26(14-10-23)7-5-21(32-26)30-19-25(17-28,18-29)20-31-22-6-8-27(33-22)15-11-24(3,4)12-16-27/h21-22,28-29H,5-20H2,1-4H3.
What are the key properties of 2,2-bis[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxymethyl]propane-1,3-diol?
2,2-bis[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxymethyl]propane-1,3-diol has a molecular weight of 468.68 g/mol, XLogP of 4.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[(8,8-dimethyl-1-oxaspiro[4.5]decan-2-yl)oxymethyl]propane-1,3-diol is sourced from PubChem (CID 169171968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).