(4R,5S,7S)-4,10,11,11-tetramethyl-2-triethylsilyloxytricyclo[5.3.1.01,5]undec-9-en-5-ol

C21H38O2Si — CID 146031503

IUPAC(4R,5S,7S)-4,10,11,11-tetramethyl-2-triethylsilyloxytricyclo[5.3.1.01,5]undec-9-en-5-ol
SMILESCC[Si](CC)(CC)OC1C[C@@H](C)[C@@]2(O)C[C@@H]3CC=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/t16-,17+,18?,20+,21?/m1/s1
InChIKeySZJNSVNTIUGHAX-ABLFOBBWSA-N
MW350.62 g/mol
LogP5.53
Rot. Bonds5

About (4R,5S,7S)-4,10,11,11-tetramethyl-2-triethylsilyloxytricyclo[5.3.1.01,5]undec-9-en-5-ol

(4R,5S,7S)-4,10,11,11-tetramethyl-2-triethylsilyloxytricyclo[5.3.1.01,5]undec-9-en-5-ol (PubChem CID 146031503) has the molecular formula C21H38O2Si and a molecular weight of 350.62 g/mol. Its IUPAC name is (4R,5S,7S)-4,10,11,11-tetramethyl-2-triethylsilyloxytricyclo[5.3.1.01,5]undec-9-en-5-ol.

Molecular Properties

Compound Name(4R,5S,7S)-4,10,11,11-tetramethyl-2-triethylsilyloxytricyclo[5.3.1.01,5]undec-9-en-5-ol
PubChem CID146031503
Molecular FormulaC21H38O2Si
Molecular Weight350.62 g/mol
Exact Mass350.26
IUPAC Name(4R,5S,7S)-4,10,11,11-tetramethyl-2-triethylsilyloxytricyclo[5.3.1.01,5]undec-9-en-5-ol
SMILESCC[Si](CC)(CC)OC1C[C@@H](C)[C@@]2(O)C[C@@H]3CC=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/t16-,17+,18?,20+,21?/m1/s1
InChIKeySZJNSVNTIUGHAX-ABLFOBBWSA-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 (4R,5S,7S)-4,10,11,11-tetramethyl-2-triethylsilyloxytricyclo[5.3.1.01,5]undec-9-en-5-ol?
The IUPAC name of (4R,5S,7S)-4,10,11,11-tetramethyl-2-triethylsilyloxytricyclo[5.3.1.01,5]undec-9-en-5-ol (CID 146031503) is (4R,5S,7S)-4,10,11,11-tetramethyl-2-triethylsilyloxytricyclo[5.3.1.01,5]undec-9-en-5-ol.
What is the SMILES notation for (4R,5S,7S)-4,10,11,11-tetramethyl-2-triethylsilyloxytricyclo[5.3.1.01,5]undec-9-en-5-ol?
The canonical SMILES for (4R,5S,7S)-4,10,11,11-tetramethyl-2-triethylsilyloxytricyclo[5.3.1.01,5]undec-9-en-5-ol is CC[Si](CC)(CC)OC1C[C@@H](C)[C@@]2(O)C[C@@H]3CC=C(C)C12C3(C)C.
What is the InChIKey of (4R,5S,7S)-4,10,11,11-tetramethyl-2-triethylsilyloxytricyclo[5.3.1.01,5]undec-9-en-5-ol?
The InChIKey is SZJNSVNTIUGHAX-ABLFOBBWSA-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/t16-,17+,18?,20+,21?/m1/s1.
What are the key properties of (4R,5S,7S)-4,10,11,11-tetramethyl-2-triethylsilyloxytricyclo[5.3.1.01,5]undec-9-en-5-ol?
(4R,5S,7S)-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 (4R,5S,7S)-4,10,11,11-tetramethyl-2-triethylsilyloxytricyclo[5.3.1.01,5]undec-9-en-5-ol is sourced from PubChem (CID 146031503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).