tert-butyl-dimethyl-[[(1S,4S,7R,10S,12R,13S,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-5-en-12-yl]methoxy]silane

C18H30O4Si — CID 10521007

IUPACtert-butyl-dimethyl-[[(1S,4S,7R,10S,12R,13S,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-5-en-12-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H]2OC[C@@H]3C=C[C@@H]4CO[C@H]1[C@@H]4[C@H]23
InChIInChI=1S/C18H30O4Si/c1-18(2,3)23(4,5)21-10-13-16-14-11(8-19-16)6-7-12-9-20-17(22-13)15(12)14/h6-7,11-17H,8-10H2,1-5H3/t11-,12+,13-,14+,15-,16-,17+/m1/s1
InChIKeyKETUWGKEMZHFCF-AJOQJMSBSA-N
MW338.52 g/mol
LogP3.20
Rot. Bonds3

About tert-butyl-dimethyl-[[(1S,4S,7R,10S,12R,13S,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-5-en-12-yl]methoxy]silane

tert-butyl-dimethyl-[[(1S,4S,7R,10S,12R,13S,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-5-en-12-yl]methoxy]silane (PubChem CID 10521007) has the molecular formula C18H30O4Si and a molecular weight of 338.52 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1S,4S,7R,10S,12R,13S,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-5-en-12-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1S,4S,7R,10S,12R,13S,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-5-en-12-yl]methoxy]silane
PubChem CID10521007
Molecular FormulaC18H30O4Si
Molecular Weight338.52 g/mol
Exact Mass338.19
IUPAC Nametert-butyl-dimethyl-[[(1S,4S,7R,10S,12R,13S,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-5-en-12-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H]2OC[C@@H]3C=C[C@@H]4CO[C@H]1[C@@H]4[C@H]23
InChIInChI=1S/C18H30O4Si/c1-18(2,3)23(4,5)21-10-13-16-14-11(8-19-16)6-7-12-9-20-17(22-13)15(12)14/h6-7,11-17H,8-10H2,1-5H3/t11-,12+,13-,14+,15-,16-,17+/m1/s1
InChIKeyKETUWGKEMZHFCF-AJOQJMSBSA-N
XLogP3.20
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 53.20
H-Bond Donors ≤ 50
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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Related Compounds

tert-butyl-[[(1R,2S,6S,8R,9S)-3,12-dimethylidene-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-dimethylsilane
CID 135003162
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tert-butyl-dimethyl-[[(1S,7R,10S,12R,13R,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-4-en-12-yl]methoxy]silane
CID 10497252
tert-butyl-[[(1R,2R,3S,6S,8R,9S)-3-ethenyl-12-methylidene-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-dimethylsilane
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tert-butyl-dimethyl-[[(1S,4R,10S,12R,13S,14S)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-6-en-12-yl]methoxy]silane
CID 10712080
tributyl-[(1R,4S,7S,10R,12S,13R,14S)-12-methyl-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-5-en-4-yl]stannane
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[(1S,4S,7R,10S,12R,13S,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-5-en-12-yl]methyl 2,2-dimethylpropanoate
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CID 11381819

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1S,4S,7R,10S,12R,13S,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-5-en-12-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1S,4S,7R,10S,12R,13S,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-5-en-12-yl]methoxy]silane (CID 10521007) is tert-butyl-dimethyl-[[(1S,4S,7R,10S,12R,13S,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-5-en-12-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1S,4S,7R,10S,12R,13S,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-5-en-12-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1S,4S,7R,10S,12R,13S,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-5-en-12-yl]methoxy]silane is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H]2OC[C@@H]3C=C[C@@H]4CO[C@H]1[C@@H]4[C@H]23.
What is the InChIKey of tert-butyl-dimethyl-[[(1S,4S,7R,10S,12R,13S,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-5-en-12-yl]methoxy]silane?
The InChIKey is KETUWGKEMZHFCF-AJOQJMSBSA-N. The full InChI is InChI=1S/C18H30O4Si/c1-18(2,3)23(4,5)21-10-13-16-14-11(8-19-16)6-7-12-9-20-17(22-13)15(12)14/h6-7,11-17H,8-10H2,1-5H3/t11-,12+,13-,14+,15-,16-,17+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(1S,4S,7R,10S,12R,13S,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-5-en-12-yl]methoxy]silane?
tert-butyl-dimethyl-[[(1S,4S,7R,10S,12R,13S,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-5-en-12-yl]methoxy]silane has a molecular weight of 338.52 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1S,4S,7R,10S,12R,13S,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-5-en-12-yl]methoxy]silane is sourced from PubChem (CID 10521007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).