(2R)-2-(1,4-dioxaspiro[4.5]decan-7-yl)-2-phenylethanol;(2R)-2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylethanol

C32H44O6 — CID 162080146

IUPAC(2R)-2-(1,4-dioxaspiro[4.5]decan-7-yl)-2-phenylethanol;(2R)-2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylethanol
SMILESOC[C@@H](c1ccccc1)C1CCCC2(C1)OCCO2.OC[C@@H](c1ccccc1)[C@@H]1CCCC2(C1)OCCO2
InChIInChI=1S/2C16H22O3/c2*17-12-15(13-5-2-1-3-6-13)14-7-4-8-16(11-14)18-9-10-19-16/h2*1-3,5-6,14-15,17H,4,7-12H2/t14?,15-;14-,15+/m01/s1
InChIKeyZCFQDVYJSZXCOK-CUCSGBJPSA-N
MW524.70 g/mol
LogP5.39
Rot. Bonds6

About (2R)-2-(1,4-dioxaspiro[4.5]decan-7-yl)-2-phenylethanol;(2R)-2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylethanol

(2R)-2-(1,4-dioxaspiro[4.5]decan-7-yl)-2-phenylethanol;(2R)-2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylethanol (PubChem CID 162080146) has the molecular formula C32H44O6 and a molecular weight of 524.70 g/mol. Its IUPAC name is (2R)-2-(1,4-dioxaspiro[4.5]decan-7-yl)-2-phenylethanol;(2R)-2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-(1,4-dioxaspiro[4.5]decan-7-yl)-2-phenylethanol;(2R)-2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylethanol
PubChem CID162080146
Molecular FormulaC32H44O6
Molecular Weight524.70 g/mol
Exact Mass524.31
IUPAC Name(2R)-2-(1,4-dioxaspiro[4.5]decan-7-yl)-2-phenylethanol;(2R)-2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylethanol
SMILESOC[C@@H](c1ccccc1)C1CCCC2(C1)OCCO2.OC[C@@H](c1ccccc1)[C@@H]1CCCC2(C1)OCCO2
InChIInChI=1S/2C16H22O3/c2*17-12-15(13-5-2-1-3-6-13)14-7-4-8-16(11-14)18-9-10-19-16/h2*1-3,5-6,14-15,17H,4,7-12H2/t14?,15-;14-,15+/m01/s1
InChIKeyZCFQDVYJSZXCOK-CUCSGBJPSA-N
XLogP5.39
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.70
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-2-(1,4-dioxaspiro[4.5]decan-7-yl)-2-phenylethanol;(2R)-2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylethanol with MolForge

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Related Compounds

(2S)-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-phenylethanol
CID 95026932
(7R)-N-benzyl-1,4-dioxaspiro[4.5]decan-7-amine
CID 70952466
(2R)-2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]propanoic acid
CID 131191391
2-phenyl-2-piperidin-4-ylethanol
CID 67125295
(2S)-2-(oxan-2-yl)-2-phenylethanol
CID 101229942
2-(1,3-dioxolan-2-yl)-2-phenylethanol
CID 102198960
3-cyclopentyl-3-phenylpropan-1-ol
CID 57047034
(7S)-7-methyl-8-[(1S)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 102337608
2-(1,4-dioxaspiro[4.4]nonan-8-yl)-3-oxo-3-phenylpropanoic acid
CID 70384716
3-(2,2-dimethyloxan-4-yl)-3-phenylpropanoic acid
CID 649009
1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethane-1,2-diol
CID 103459515
N-(1,4-dioxaspiro[4.5]decan-7-yl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 75453285

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,4-dioxaspiro[4.5]decan-7-yl)-2-phenylethanol;(2R)-2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylethanol?
The IUPAC name of (2R)-2-(1,4-dioxaspiro[4.5]decan-7-yl)-2-phenylethanol;(2R)-2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylethanol (CID 162080146) is (2R)-2-(1,4-dioxaspiro[4.5]decan-7-yl)-2-phenylethanol;(2R)-2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylethanol.
What is the SMILES notation for (2R)-2-(1,4-dioxaspiro[4.5]decan-7-yl)-2-phenylethanol;(2R)-2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylethanol?
The canonical SMILES for (2R)-2-(1,4-dioxaspiro[4.5]decan-7-yl)-2-phenylethanol;(2R)-2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylethanol is OC[C@@H](c1ccccc1)C1CCCC2(C1)OCCO2.OC[C@@H](c1ccccc1)[C@@H]1CCCC2(C1)OCCO2.
What is the InChIKey of (2R)-2-(1,4-dioxaspiro[4.5]decan-7-yl)-2-phenylethanol;(2R)-2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylethanol?
The InChIKey is ZCFQDVYJSZXCOK-CUCSGBJPSA-N. The full InChI is InChI=1S/2C16H22O3/c2*17-12-15(13-5-2-1-3-6-13)14-7-4-8-16(11-14)18-9-10-19-16/h2*1-3,5-6,14-15,17H,4,7-12H2/t14?,15-;14-,15+/m01/s1.
What are the key properties of (2R)-2-(1,4-dioxaspiro[4.5]decan-7-yl)-2-phenylethanol;(2R)-2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylethanol?
(2R)-2-(1,4-dioxaspiro[4.5]decan-7-yl)-2-phenylethanol;(2R)-2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylethanol has a molecular weight of 524.70 g/mol, XLogP of 5.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,4-dioxaspiro[4.5]decan-7-yl)-2-phenylethanol;(2R)-2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylethanol is sourced from PubChem (CID 162080146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).