tert-butyl-dimethyl-[[(1S,5R,7R,8S,10S,11S)-3,3,7,11-tetramethyl-12-oxatetracyclo[6.4.0.01,11.05,7]dodecan-10-yl]oxy]silane

C21H38O2Si — CID 99952559

IUPACtert-butyl-dimethyl-[[(1S,5R,7R,8S,10S,11S)-3,3,7,11-tetramethyl-12-oxatetracyclo[6.4.0.01,11.05,7]dodecan-10-yl]oxy]silane
SMILESCC1(C)C[C@@H]2C[C@@]2(C)[C@@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@]3(C)O[C@@]23C1
InChIInChI=1S/C21H38O2Si/c1-17(2,3)24(8,9)22-16-10-15-19(6)12-14(19)11-18(4,5)13-21(15)20(16,7)23-21/h14-16H,10-13H2,1-9H3/t14-,15+,16+,19-,20+,21+/m1/s1
InChIKeyDTVQVXOROXVZJM-TTYLFXKOSA-N
MW350.62 g/mol
LogP5.77
Rot. Bonds2

About tert-butyl-dimethyl-[[(1S,5R,7R,8S,10S,11S)-3,3,7,11-tetramethyl-12-oxatetracyclo[6.4.0.01,11.05,7]dodecan-10-yl]oxy]silane

tert-butyl-dimethyl-[[(1S,5R,7R,8S,10S,11S)-3,3,7,11-tetramethyl-12-oxatetracyclo[6.4.0.01,11.05,7]dodecan-10-yl]oxy]silane (PubChem CID 99952559) has the molecular formula C21H38O2Si and a molecular weight of 350.62 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1S,5R,7R,8S,10S,11S)-3,3,7,11-tetramethyl-12-oxatetracyclo[6.4.0.01,11.05,7]dodecan-10-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1S,5R,7R,8S,10S,11S)-3,3,7,11-tetramethyl-12-oxatetracyclo[6.4.0.01,11.05,7]dodecan-10-yl]oxy]silane
PubChem CID99952559
Molecular FormulaC21H38O2Si
Molecular Weight350.62 g/mol
Exact Mass350.26
IUPAC Nametert-butyl-dimethyl-[[(1S,5R,7R,8S,10S,11S)-3,3,7,11-tetramethyl-12-oxatetracyclo[6.4.0.01,11.05,7]dodecan-10-yl]oxy]silane
SMILESCC1(C)C[C@@H]2C[C@@]2(C)[C@@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@]3(C)O[C@@]23C1
InChIInChI=1S/C21H38O2Si/c1-17(2,3)24(8,9)22-16-10-15-19(6)12-14(19)11-18(4,5)13-21(15)20(16,7)23-21/h14-16H,10-13H2,1-9H3/t14-,15+,16+,19-,20+,21+/m1/s1
InChIKeyDTVQVXOROXVZJM-TTYLFXKOSA-N
XLogP5.77
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.62
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[[(1S,5R,7R,8S,10S,11S)-3,3,7,11-tetramethyl-12-oxatetracyclo[6.4.0.01,11.05,7]dodecan-10-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

tert-butyl-dimethyl-[[(1S,2R,5S)-1-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]oxy]silane
CID 102406518
[(1S,2R,4S,5R,6R,7S,9R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl]oxy-tert-butyl-dimethylsilane
CID 101106170
tert-butyl-dimethyl-[[(1R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane
CID 87652053
(8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-6,6,8a-trimethyl-1,2,3,5,7,8-hexahydronaphthalene-2,3-diol
CID 102023847
(3aS,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 25213394
tert-butyl-[[(1S,2R,6S)-1-ethyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-dimethylsilane
CID 24881290
(2R)-2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloxolan-2-yl]but-3-yn-2-ol
CID 11558462
[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8,8-dimethyl-6-bicyclo[3.2.1]octanyl]methanol
CID 101226525
(5R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,8-trimethyl-1,3,10-trioxaspiro[4.5]decan-8-ol
CID 101133967
[(1S,4S,4aS,8aS)-6,6-dimethoxy-8a-methylspiro[2,3,4a,5,7,8-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl]oxy-tert-butyl-dimethylsilane
CID 10474337
[(1S,2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonyl chloride
CID 134882547
tert-butyl-(1,3-dimethylcyclobutyl)oxy-dimethylsilane
CID 174101366

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1S,5R,7R,8S,10S,11S)-3,3,7,11-tetramethyl-12-oxatetracyclo[6.4.0.01,11.05,7]dodecan-10-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1S,5R,7R,8S,10S,11S)-3,3,7,11-tetramethyl-12-oxatetracyclo[6.4.0.01,11.05,7]dodecan-10-yl]oxy]silane (CID 99952559) is tert-butyl-dimethyl-[[(1S,5R,7R,8S,10S,11S)-3,3,7,11-tetramethyl-12-oxatetracyclo[6.4.0.01,11.05,7]dodecan-10-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1S,5R,7R,8S,10S,11S)-3,3,7,11-tetramethyl-12-oxatetracyclo[6.4.0.01,11.05,7]dodecan-10-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1S,5R,7R,8S,10S,11S)-3,3,7,11-tetramethyl-12-oxatetracyclo[6.4.0.01,11.05,7]dodecan-10-yl]oxy]silane is CC1(C)C[C@@H]2C[C@@]2(C)[C@@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@]3(C)O[C@@]23C1.
What is the InChIKey of tert-butyl-dimethyl-[[(1S,5R,7R,8S,10S,11S)-3,3,7,11-tetramethyl-12-oxatetracyclo[6.4.0.01,11.05,7]dodecan-10-yl]oxy]silane?
The InChIKey is DTVQVXOROXVZJM-TTYLFXKOSA-N. The full InChI is InChI=1S/C21H38O2Si/c1-17(2,3)24(8,9)22-16-10-15-19(6)12-14(19)11-18(4,5)13-21(15)20(16,7)23-21/h14-16H,10-13H2,1-9H3/t14-,15+,16+,19-,20+,21+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(1S,5R,7R,8S,10S,11S)-3,3,7,11-tetramethyl-12-oxatetracyclo[6.4.0.01,11.05,7]dodecan-10-yl]oxy]silane?
tert-butyl-dimethyl-[[(1S,5R,7R,8S,10S,11S)-3,3,7,11-tetramethyl-12-oxatetracyclo[6.4.0.01,11.05,7]dodecan-10-yl]oxy]silane has a molecular weight of 350.62 g/mol, XLogP of 5.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1S,5R,7R,8S,10S,11S)-3,3,7,11-tetramethyl-12-oxatetracyclo[6.4.0.01,11.05,7]dodecan-10-yl]oxy]silane is sourced from PubChem (CID 99952559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).