tert-butyl-dimethyl-[[(1S,5S)-2,2,3,3,5-pentamethyl-4-methylidenecyclopentyl]methoxy]silane

C18H36OSi — CID 59483150

IUPACtert-butyl-dimethyl-[[(1S,5S)-2,2,3,3,5-pentamethyl-4-methylidenecyclopentyl]methoxy]silane
SMILESC=C1[C@@H](C)[C@H](CO[Si](C)(C)C(C)(C)C)C(C)(C)C1(C)C
InChIInChI=1S/C18H36OSi/c1-13-14(2)17(6,7)18(8,9)15(13)12-19-20(10,11)16(3,4)5/h13,15H,2,12H2,1,3-11H3/t13-,15+/m1/s1
InChIKeyWCIVVJCFEWOQQR-HIFRSBDPSA-N
MW296.57 g/mol
LogP5.88
Rot. Bonds3

About tert-butyl-dimethyl-[[(1S,5S)-2,2,3,3,5-pentamethyl-4-methylidenecyclopentyl]methoxy]silane

tert-butyl-dimethyl-[[(1S,5S)-2,2,3,3,5-pentamethyl-4-methylidenecyclopentyl]methoxy]silane (PubChem CID 59483150) has the molecular formula C18H36OSi and a molecular weight of 296.57 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1S,5S)-2,2,3,3,5-pentamethyl-4-methylidenecyclopentyl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1S,5S)-2,2,3,3,5-pentamethyl-4-methylidenecyclopentyl]methoxy]silane
PubChem CID59483150
Molecular FormulaC18H36OSi
Molecular Weight296.57 g/mol
Exact Mass296.25
IUPAC Nametert-butyl-dimethyl-[[(1S,5S)-2,2,3,3,5-pentamethyl-4-methylidenecyclopentyl]methoxy]silane
SMILESC=C1[C@@H](C)[C@H](CO[Si](C)(C)C(C)(C)C)C(C)(C)C1(C)C
InChIInChI=1S/C18H36OSi/c1-13-14(2)17(6,7)18(8,9)15(13)12-19-20(10,11)16(3,4)5/h13,15H,2,12H2,1,3-11H3/t13-,15+/m1/s1
InChIKeyWCIVVJCFEWOQQR-HIFRSBDPSA-N
XLogP5.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.57
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 tert-butyl-dimethyl-[[(1S,5S)-2,2,3,3,5-pentamethyl-4-methylidenecyclopentyl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1S,5S)-2,2,3,3,5-pentamethyl-4-methylidenecyclopentyl]methoxy]silane (CID 59483150) is tert-butyl-dimethyl-[[(1S,5S)-2,2,3,3,5-pentamethyl-4-methylidenecyclopentyl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1S,5S)-2,2,3,3,5-pentamethyl-4-methylidenecyclopentyl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1S,5S)-2,2,3,3,5-pentamethyl-4-methylidenecyclopentyl]methoxy]silane is C=C1[C@@H](C)[C@H](CO[Si](C)(C)C(C)(C)C)C(C)(C)C1(C)C.
What is the InChIKey of tert-butyl-dimethyl-[[(1S,5S)-2,2,3,3,5-pentamethyl-4-methylidenecyclopentyl]methoxy]silane?
The InChIKey is WCIVVJCFEWOQQR-HIFRSBDPSA-N. The full InChI is InChI=1S/C18H36OSi/c1-13-14(2)17(6,7)18(8,9)15(13)12-19-20(10,11)16(3,4)5/h13,15H,2,12H2,1,3-11H3/t13-,15+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(1S,5S)-2,2,3,3,5-pentamethyl-4-methylidenecyclopentyl]methoxy]silane?
tert-butyl-dimethyl-[[(1S,5S)-2,2,3,3,5-pentamethyl-4-methylidenecyclopentyl]methoxy]silane has a molecular weight of 296.57 g/mol, XLogP of 5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1S,5S)-2,2,3,3,5-pentamethyl-4-methylidenecyclopentyl]methoxy]silane is sourced from PubChem (CID 59483150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).