tert-butyl-dimethyl-[[(1R,4S,6S,8R)-6-[(E)-prop-1-enyl]-9,12-dioxatricyclo[6.3.1.01,6]dodec-10-en-4-yl]oxy]silane

C19H32O3Si — CID 101444136

IUPACtert-butyl-dimethyl-[[(1R,4S,6S,8R)-6-[(E)-prop-1-enyl]-9,12-dioxatricyclo[6.3.1.01,6]dodec-10-en-4-yl]oxy]silane
SMILESC/C=C/[C@@]12C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@]13C=CO[C@@H](C2)O3
InChIInChI=1S/C19H32O3Si/c1-7-9-18-13-15(22-23(5,6)17(2,3)4)8-10-19(18)11-12-20-16(14-18)21-19/h7,9,11-12,15-16H,8,10,13-14H2,1-6H3/b9-7+/t15-,16+,18-,19+/m0/s1
InChIKeyLQSRHQSNRPGCFM-MQKXGFTGSA-N
MW336.55 g/mol
LogP5.15
Rot. Bonds3

About tert-butyl-dimethyl-[[(1R,4S,6S,8R)-6-[(E)-prop-1-enyl]-9,12-dioxatricyclo[6.3.1.01,6]dodec-10-en-4-yl]oxy]silane

tert-butyl-dimethyl-[[(1R,4S,6S,8R)-6-[(E)-prop-1-enyl]-9,12-dioxatricyclo[6.3.1.01,6]dodec-10-en-4-yl]oxy]silane (PubChem CID 101444136) has the molecular formula C19H32O3Si and a molecular weight of 336.55 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1R,4S,6S,8R)-6-[(E)-prop-1-enyl]-9,12-dioxatricyclo[6.3.1.01,6]dodec-10-en-4-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1R,4S,6S,8R)-6-[(E)-prop-1-enyl]-9,12-dioxatricyclo[6.3.1.01,6]dodec-10-en-4-yl]oxy]silane
PubChem CID101444136
Molecular FormulaC19H32O3Si
Molecular Weight336.55 g/mol
Exact Mass336.21
IUPAC Nametert-butyl-dimethyl-[[(1R,4S,6S,8R)-6-[(E)-prop-1-enyl]-9,12-dioxatricyclo[6.3.1.01,6]dodec-10-en-4-yl]oxy]silane
SMILESC/C=C/[C@@]12C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@]13C=CO[C@@H](C2)O3
InChIInChI=1S/C19H32O3Si/c1-7-9-18-13-15(22-23(5,6)17(2,3)4)8-10-19(18)11-12-20-16(14-18)21-19/h7,9,11-12,15-16H,8,10,13-14H2,1-6H3/b9-7+/t15-,16+,18-,19+/m0/s1
InChIKeyLQSRHQSNRPGCFM-MQKXGFTGSA-N
XLogP5.15
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.55
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[[(1R,4S,6S,8R)-6-[(E)-prop-1-enyl]-9,12-dioxatricyclo[6.3.1.01,6]dodec-10-en-4-yl]oxy]silane with MolForge

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

Launch Full Analysis

Related Compounds

[3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclopentyl]methanol
CID 140956891
tert-butyl-dimethyl-[[(3R)-6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]silane
CID 11230258
4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylic acid
CID 160745300
10-[3-[tert-butyl(dimethyl)silyl]oxy-1-(10-oxodecyl)cyclopentyl]decanal
CID 140956876
[(4aS,6S)-1,4a-dimethyl-3,4,5,6,7,8-hexahydrobenzo[7]annulen-6-yl]oxy-tert-butyl-dimethylsilane
CID 10040842
9-[3-[tert-butyl(dimethyl)silyl]oxy-1-(9-hydroxynonyl)cyclopentyl]nonan-1-ol
CID 140956897
tert-butyl-cyclohept-4-en-1-yloxy-dimethylsilane
CID 11085508
4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylic acid
CID 175981383
tert-butyl-(1-hydroxypyrrolidin-3-yl)oxy-dimethylsilane
CID 85204387
4-[tert-butyl(dimethyl)silyl]oxy-1-(2-hydroxyethyl)cyclohexan-1-ol
CID 11097760
ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylate
CID 157320752
(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclopent-2-en-1-ol
CID 11746757

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1R,4S,6S,8R)-6-[(E)-prop-1-enyl]-9,12-dioxatricyclo[6.3.1.01,6]dodec-10-en-4-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1R,4S,6S,8R)-6-[(E)-prop-1-enyl]-9,12-dioxatricyclo[6.3.1.01,6]dodec-10-en-4-yl]oxy]silane (CID 101444136) is tert-butyl-dimethyl-[[(1R,4S,6S,8R)-6-[(E)-prop-1-enyl]-9,12-dioxatricyclo[6.3.1.01,6]dodec-10-en-4-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1R,4S,6S,8R)-6-[(E)-prop-1-enyl]-9,12-dioxatricyclo[6.3.1.01,6]dodec-10-en-4-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1R,4S,6S,8R)-6-[(E)-prop-1-enyl]-9,12-dioxatricyclo[6.3.1.01,6]dodec-10-en-4-yl]oxy]silane is C/C=C/[C@@]12C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@]13C=CO[C@@H](C2)O3.
What is the InChIKey of tert-butyl-dimethyl-[[(1R,4S,6S,8R)-6-[(E)-prop-1-enyl]-9,12-dioxatricyclo[6.3.1.01,6]dodec-10-en-4-yl]oxy]silane?
The InChIKey is LQSRHQSNRPGCFM-MQKXGFTGSA-N. The full InChI is InChI=1S/C19H32O3Si/c1-7-9-18-13-15(22-23(5,6)17(2,3)4)8-10-19(18)11-12-20-16(14-18)21-19/h7,9,11-12,15-16H,8,10,13-14H2,1-6H3/b9-7+/t15-,16+,18-,19+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(1R,4S,6S,8R)-6-[(E)-prop-1-enyl]-9,12-dioxatricyclo[6.3.1.01,6]dodec-10-en-4-yl]oxy]silane?
tert-butyl-dimethyl-[[(1R,4S,6S,8R)-6-[(E)-prop-1-enyl]-9,12-dioxatricyclo[6.3.1.01,6]dodec-10-en-4-yl]oxy]silane has a molecular weight of 336.55 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1R,4S,6S,8R)-6-[(E)-prop-1-enyl]-9,12-dioxatricyclo[6.3.1.01,6]dodec-10-en-4-yl]oxy]silane is sourced from PubChem (CID 101444136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).