(1S,5S,8S)-8-[tert-butyl(dimethyl)silyl]oxytricyclo[6.3.0.01,5]undecan-5-ol

C17H32O2Si — CID 11141017

IUPAC(1S,5S,8S)-8-[tert-butyl(dimethyl)silyl]oxytricyclo[6.3.0.01,5]undecan-5-ol
SMILESCC(C)(C)[Si](C)(C)O[C@]12CCC[C@]13CCC[C@]3(O)CC2
InChIInChI=1S/C17H32O2Si/c1-14(2,3)20(4,5)19-17-11-7-9-15(17)8-6-10-16(15,18)12-13-17/h18H,6-13H2,1-5H3/t15-,16-,17-/m0/s1
InChIKeyGPDYMSMWVHNWHE-ULQDDVLXSA-N
MW296.53 g/mol
LogP4.63
Rot. Bonds2

About (1S,5S,8S)-8-[tert-butyl(dimethyl)silyl]oxytricyclo[6.3.0.01,5]undecan-5-ol

(1S,5S,8S)-8-[tert-butyl(dimethyl)silyl]oxytricyclo[6.3.0.01,5]undecan-5-ol (PubChem CID 11141017) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is (1S,5S,8S)-8-[tert-butyl(dimethyl)silyl]oxytricyclo[6.3.0.01,5]undecan-5-ol.

Molecular Properties

Compound Name(1S,5S,8S)-8-[tert-butyl(dimethyl)silyl]oxytricyclo[6.3.0.01,5]undecan-5-ol
PubChem CID11141017
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name(1S,5S,8S)-8-[tert-butyl(dimethyl)silyl]oxytricyclo[6.3.0.01,5]undecan-5-ol
SMILESCC(C)(C)[Si](C)(C)O[C@]12CCC[C@]13CCC[C@]3(O)CC2
InChIInChI=1S/C17H32O2Si/c1-14(2,3)20(4,5)19-17-11-7-9-15(17)8-6-10-16(15,18)12-13-17/h18H,6-13H2,1-5H3/t15-,16-,17-/m0/s1
InChIKeyGPDYMSMWVHNWHE-ULQDDVLXSA-N
XLogP4.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,5S,8S)-8-[tert-butyl(dimethyl)silyl]oxytricyclo[6.3.0.01,5]undecan-5-ol?
The IUPAC name of (1S,5S,8S)-8-[tert-butyl(dimethyl)silyl]oxytricyclo[6.3.0.01,5]undecan-5-ol (CID 11141017) is (1S,5S,8S)-8-[tert-butyl(dimethyl)silyl]oxytricyclo[6.3.0.01,5]undecan-5-ol.
What is the SMILES notation for (1S,5S,8S)-8-[tert-butyl(dimethyl)silyl]oxytricyclo[6.3.0.01,5]undecan-5-ol?
The canonical SMILES for (1S,5S,8S)-8-[tert-butyl(dimethyl)silyl]oxytricyclo[6.3.0.01,5]undecan-5-ol is CC(C)(C)[Si](C)(C)O[C@]12CCC[C@]13CCC[C@]3(O)CC2.
What is the InChIKey of (1S,5S,8S)-8-[tert-butyl(dimethyl)silyl]oxytricyclo[6.3.0.01,5]undecan-5-ol?
The InChIKey is GPDYMSMWVHNWHE-ULQDDVLXSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-14(2,3)20(4,5)19-17-11-7-9-15(17)8-6-10-16(15,18)12-13-17/h18H,6-13H2,1-5H3/t15-,16-,17-/m0/s1.
What are the key properties of (1S,5S,8S)-8-[tert-butyl(dimethyl)silyl]oxytricyclo[6.3.0.01,5]undecan-5-ol?
(1S,5S,8S)-8-[tert-butyl(dimethyl)silyl]oxytricyclo[6.3.0.01,5]undecan-5-ol has a molecular weight of 296.53 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,8S)-8-[tert-butyl(dimethyl)silyl]oxytricyclo[6.3.0.01,5]undecan-5-ol is sourced from PubChem (CID 11141017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).