2-[9-(3,4-dimethoxyphenyl)-3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl]ethanol

C21H32O5 — CID 11279991

IUPAC2-[9-(3,4-dimethoxyphenyl)-3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl]ethanol
SMILESCOc1ccc(C2(CCO)CCC3(CC2)OCC(C)(C)CO3)cc1OC
InChIInChI=1S/C21H32O5/c1-19(2)14-25-21(26-15-19)9-7-20(8-10-21,11-12-22)16-5-6-17(23-3)18(13-16)24-4/h5-6,13,22H,7-12,14-15H2,1-4H3
InChIKeyQOJGZYQSNYLUTB-UHFFFAOYSA-N
MW364.48 g/mol
LogP3.67
Rot. Bonds5

About 2-[9-(3,4-dimethoxyphenyl)-3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl]ethanol

2-[9-(3,4-dimethoxyphenyl)-3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl]ethanol (PubChem CID 11279991) has the molecular formula C21H32O5 and a molecular weight of 364.48 g/mol. Its IUPAC name is 2-[9-(3,4-dimethoxyphenyl)-3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl]ethanol.

Molecular Properties

Compound Name2-[9-(3,4-dimethoxyphenyl)-3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl]ethanol
PubChem CID11279991
Molecular FormulaC21H32O5
Molecular Weight364.48 g/mol
Exact Mass364.22
IUPAC Name2-[9-(3,4-dimethoxyphenyl)-3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl]ethanol
SMILESCOc1ccc(C2(CCO)CCC3(CC2)OCC(C)(C)CO3)cc1OC
InChIInChI=1S/C21H32O5/c1-19(2)14-25-21(26-15-19)9-7-20(8-10-21,11-12-22)16-5-6-17(23-3)18(13-16)24-4/h5-6,13,22H,7-12,14-15H2,1-4H3
InChIKeyQOJGZYQSNYLUTB-UHFFFAOYSA-N
XLogP3.67
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[9-(3,4-dimethoxyphenyl)-3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl]ethanol?
The IUPAC name of 2-[9-(3,4-dimethoxyphenyl)-3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl]ethanol (CID 11279991) is 2-[9-(3,4-dimethoxyphenyl)-3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl]ethanol.
What is the SMILES notation for 2-[9-(3,4-dimethoxyphenyl)-3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl]ethanol?
The canonical SMILES for 2-[9-(3,4-dimethoxyphenyl)-3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl]ethanol is COc1ccc(C2(CCO)CCC3(CC2)OCC(C)(C)CO3)cc1OC.
What is the InChIKey of 2-[9-(3,4-dimethoxyphenyl)-3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl]ethanol?
The InChIKey is QOJGZYQSNYLUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O5/c1-19(2)14-25-21(26-15-19)9-7-20(8-10-21,11-12-22)16-5-6-17(23-3)18(13-16)24-4/h5-6,13,22H,7-12,14-15H2,1-4H3.
What are the key properties of 2-[9-(3,4-dimethoxyphenyl)-3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl]ethanol?
2-[9-(3,4-dimethoxyphenyl)-3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl]ethanol has a molecular weight of 364.48 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(3,4-dimethoxyphenyl)-3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl]ethanol is sourced from PubChem (CID 11279991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).