4,10,11,11-tetramethyl-2-triethylsilyloxytricyclo[5.3.1.01,5]undec-9-en-5-ol

C21H38O2Si — CID 70986543

IUPAC4,10,11,11-tetramethyl-2-triethylsilyloxytricyclo[5.3.1.01,5]undec-9-en-5-ol
SMILESCC[Si](CC)(CC)OC1CC(C)C2(O)CC3CC=C(C)C12C3(C)C
InChIInChI=1S/C21H38O2Si/c1-8-24(9-2,10-3)23-18-13-16(5)20(22)14-17-12-11-15(4)21(18,20)19(17,6)7/h11,16-18,22H,8-10,12-14H2,1-7H3
InChIKeySZJNSVNTIUGHAX-UHFFFAOYSA-N
MW350.62 g/mol
LogP5.53
Rot. Bonds5

About 4,10,11,11-tetramethyl-2-triethylsilyloxytricyclo[5.3.1.01,5]undec-9-en-5-ol

4,10,11,11-tetramethyl-2-triethylsilyloxytricyclo[5.3.1.01,5]undec-9-en-5-ol (PubChem CID 70986543) has the molecular formula C21H38O2Si and a molecular weight of 350.62 g/mol. Its IUPAC name is 4,10,11,11-tetramethyl-2-triethylsilyloxytricyclo[5.3.1.01,5]undec-9-en-5-ol.

Molecular Properties

Compound Name4,10,11,11-tetramethyl-2-triethylsilyloxytricyclo[5.3.1.01,5]undec-9-en-5-ol
PubChem CID70986543
Molecular FormulaC21H38O2Si
Molecular Weight350.62 g/mol
Exact Mass350.26
IUPAC Name4,10,11,11-tetramethyl-2-triethylsilyloxytricyclo[5.3.1.01,5]undec-9-en-5-ol
SMILESCC[Si](CC)(CC)OC1CC(C)C2(O)CC3CC=C(C)C12C3(C)C
InChIInChI=1S/C21H38O2Si/c1-8-24(9-2,10-3)23-18-13-16(5)20(22)14-17-12-11-15(4)21(18,20)19(17,6)7/h11,16-18,22H,8-10,12-14H2,1-7H3
InChIKeySZJNSVNTIUGHAX-UHFFFAOYSA-N
XLogP5.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.62
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4,10,11,11-tetramethyl-2-triethylsilyloxytricyclo[5.3.1.01,5]undec-9-en-5-ol?
The IUPAC name of 4,10,11,11-tetramethyl-2-triethylsilyloxytricyclo[5.3.1.01,5]undec-9-en-5-ol (CID 70986543) is 4,10,11,11-tetramethyl-2-triethylsilyloxytricyclo[5.3.1.01,5]undec-9-en-5-ol.
What is the SMILES notation for 4,10,11,11-tetramethyl-2-triethylsilyloxytricyclo[5.3.1.01,5]undec-9-en-5-ol?
The canonical SMILES for 4,10,11,11-tetramethyl-2-triethylsilyloxytricyclo[5.3.1.01,5]undec-9-en-5-ol is CC[Si](CC)(CC)OC1CC(C)C2(O)CC3CC=C(C)C12C3(C)C.
What is the InChIKey of 4,10,11,11-tetramethyl-2-triethylsilyloxytricyclo[5.3.1.01,5]undec-9-en-5-ol?
The InChIKey is SZJNSVNTIUGHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O2Si/c1-8-24(9-2,10-3)23-18-13-16(5)20(22)14-17-12-11-15(4)21(18,20)19(17,6)7/h11,16-18,22H,8-10,12-14H2,1-7H3.
What are the key properties of 4,10,11,11-tetramethyl-2-triethylsilyloxytricyclo[5.3.1.01,5]undec-9-en-5-ol?
4,10,11,11-tetramethyl-2-triethylsilyloxytricyclo[5.3.1.01,5]undec-9-en-5-ol has a molecular weight of 350.62 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10,11,11-tetramethyl-2-triethylsilyloxytricyclo[5.3.1.01,5]undec-9-en-5-ol is sourced from PubChem (CID 70986543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).