8-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,4-dioxaspiro[4.5]decan-8-ol

C20H32O4Si — CID 59541910

IUPAC8-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(C2(O)CCC3(CC2)OCCO3)c1
InChIInChI=1S/C20H32O4Si/c1-18(2,3)25(4,5)24-17-8-6-7-16(15-17)19(21)9-11-20(12-10-19)22-13-14-23-20/h6-8,15,21H,9-14H2,1-5H3
InChIKeyVNQFJNQWZIBNHM-UHFFFAOYSA-N
MW364.56 g/mol
LogP4.58
Rot. Bonds3

About 8-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,4-dioxaspiro[4.5]decan-8-ol

8-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 59541910) has the molecular formula C20H32O4Si and a molecular weight of 364.56 g/mol. Its IUPAC name is 8-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID59541910
Molecular FormulaC20H32O4Si
Molecular Weight364.56 g/mol
Exact Mass364.21
IUPAC Name8-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(C2(O)CCC3(CC2)OCCO3)c1
InChIInChI=1S/C20H32O4Si/c1-18(2,3)25(4,5)24-17-8-6-7-16(15-17)19(21)9-11-20(12-10-19)22-13-14-23-20/h6-8,15,21H,9-14H2,1-5H3
InChIKeyVNQFJNQWZIBNHM-UHFFFAOYSA-N
XLogP4.58
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 8-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,4-dioxaspiro[4.5]decan-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 8-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,4-dioxaspiro[4.5]decan-8-ol (CID 59541910) is 8-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 8-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 8-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,4-dioxaspiro[4.5]decan-8-ol is CC(C)(C)[Si](C)(C)Oc1cccc(C2(O)CCC3(CC2)OCCO3)c1.
What is the InChIKey of 8-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is VNQFJNQWZIBNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O4Si/c1-18(2,3)25(4,5)24-17-8-6-7-16(15-17)19(21)9-11-20(12-10-19)22-13-14-23-20/h6-8,15,21H,9-14H2,1-5H3.
What are the key properties of 8-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,4-dioxaspiro[4.5]decan-8-ol?
8-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 364.56 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 59541910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).