4-(1,7-dioxaspiro[5.5]undec-4-en-2-yl)-2-methyl-1-triethylsilyloxybutan-2-ol

C20H38O4Si — CID 10832997

IUPAC4-(1,7-dioxaspiro[5.5]undec-4-en-2-yl)-2-methyl-1-triethylsilyloxybutan-2-ol
SMILESCC[Si](CC)(CC)OCC(C)(O)CCC1CC=CC2(CCCCO2)O1
InChIInChI=1S/C20H38O4Si/c1-5-25(6-2,7-3)23-17-19(4,21)15-12-18-11-10-14-20(24-18)13-8-9-16-22-20/h10,14,18,21H,5-9,11-13,15-17H2,1-4H3
InChIKeyPPDWBCXHFSRTFL-UHFFFAOYSA-N
MW370.61 g/mol
LogP4.78
Rot. Bonds9

About 4-(1,7-dioxaspiro[5.5]undec-4-en-2-yl)-2-methyl-1-triethylsilyloxybutan-2-ol

4-(1,7-dioxaspiro[5.5]undec-4-en-2-yl)-2-methyl-1-triethylsilyloxybutan-2-ol (PubChem CID 10832997) has the molecular formula C20H38O4Si and a molecular weight of 370.61 g/mol. Its IUPAC name is 4-(1,7-dioxaspiro[5.5]undec-4-en-2-yl)-2-methyl-1-triethylsilyloxybutan-2-ol.

Molecular Properties

Compound Name4-(1,7-dioxaspiro[5.5]undec-4-en-2-yl)-2-methyl-1-triethylsilyloxybutan-2-ol
PubChem CID10832997
Molecular FormulaC20H38O4Si
Molecular Weight370.61 g/mol
Exact Mass370.25
IUPAC Name4-(1,7-dioxaspiro[5.5]undec-4-en-2-yl)-2-methyl-1-triethylsilyloxybutan-2-ol
SMILESCC[Si](CC)(CC)OCC(C)(O)CCC1CC=CC2(CCCCO2)O1
InChIInChI=1S/C20H38O4Si/c1-5-25(6-2,7-3)23-17-19(4,21)15-12-18-11-10-14-20(24-18)13-8-9-16-22-20/h10,14,18,21H,5-9,11-13,15-17H2,1-4H3
InChIKeyPPDWBCXHFSRTFL-UHFFFAOYSA-N
XLogP4.78
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.61
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,7-dioxaspiro[5.5]undec-4-en-2-yl)-2-methyl-1-triethylsilyloxybutan-2-ol?
The IUPAC name of 4-(1,7-dioxaspiro[5.5]undec-4-en-2-yl)-2-methyl-1-triethylsilyloxybutan-2-ol (CID 10832997) is 4-(1,7-dioxaspiro[5.5]undec-4-en-2-yl)-2-methyl-1-triethylsilyloxybutan-2-ol.
What is the SMILES notation for 4-(1,7-dioxaspiro[5.5]undec-4-en-2-yl)-2-methyl-1-triethylsilyloxybutan-2-ol?
The canonical SMILES for 4-(1,7-dioxaspiro[5.5]undec-4-en-2-yl)-2-methyl-1-triethylsilyloxybutan-2-ol is CC[Si](CC)(CC)OCC(C)(O)CCC1CC=CC2(CCCCO2)O1.
What is the InChIKey of 4-(1,7-dioxaspiro[5.5]undec-4-en-2-yl)-2-methyl-1-triethylsilyloxybutan-2-ol?
The InChIKey is PPDWBCXHFSRTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O4Si/c1-5-25(6-2,7-3)23-17-19(4,21)15-12-18-11-10-14-20(24-18)13-8-9-16-22-20/h10,14,18,21H,5-9,11-13,15-17H2,1-4H3.
What are the key properties of 4-(1,7-dioxaspiro[5.5]undec-4-en-2-yl)-2-methyl-1-triethylsilyloxybutan-2-ol?
4-(1,7-dioxaspiro[5.5]undec-4-en-2-yl)-2-methyl-1-triethylsilyloxybutan-2-ol has a molecular weight of 370.61 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,7-dioxaspiro[5.5]undec-4-en-2-yl)-2-methyl-1-triethylsilyloxybutan-2-ol is sourced from PubChem (CID 10832997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).