9-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[5.5]undecan-3-ol

C18H36O2Si — CID 19390047

IUPAC9-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[5.5]undecan-3-ol
SMILESCC(C)(C)[Si](C)(C)OCC1CCC2(CCC(O)CC2)CC1
InChIInChI=1S/C18H36O2Si/c1-17(2,3)21(4,5)20-14-15-6-10-18(11-7-15)12-8-16(19)9-13-18/h15-16,19H,6-14H2,1-5H3
InChIKeyPSLZZFRXZWNTRO-UHFFFAOYSA-N
MW312.57 g/mol
LogP5.12
Rot. Bonds3

About 9-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[5.5]undecan-3-ol

9-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[5.5]undecan-3-ol (PubChem CID 19390047) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is 9-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[5.5]undecan-3-ol.

Molecular Properties

Compound Name9-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[5.5]undecan-3-ol
PubChem CID19390047
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name9-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[5.5]undecan-3-ol
SMILESCC(C)(C)[Si](C)(C)OCC1CCC2(CCC(O)CC2)CC1
InChIInChI=1S/C18H36O2Si/c1-17(2,3)21(4,5)20-14-15-6-10-18(11-7-15)12-8-16(19)9-13-18/h15-16,19H,6-14H2,1-5H3
InChIKeyPSLZZFRXZWNTRO-UHFFFAOYSA-N
XLogP5.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.12
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 9-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[5.5]undecan-3-ol?
The IUPAC name of 9-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[5.5]undecan-3-ol (CID 19390047) is 9-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[5.5]undecan-3-ol.
What is the SMILES notation for 9-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[5.5]undecan-3-ol?
The canonical SMILES for 9-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[5.5]undecan-3-ol is CC(C)(C)[Si](C)(C)OCC1CCC2(CCC(O)CC2)CC1.
What is the InChIKey of 9-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[5.5]undecan-3-ol?
The InChIKey is PSLZZFRXZWNTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-17(2,3)21(4,5)20-14-15-6-10-18(11-7-15)12-8-16(19)9-13-18/h15-16,19H,6-14H2,1-5H3.
What are the key properties of 9-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[5.5]undecan-3-ol?
9-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[5.5]undecan-3-ol has a molecular weight of 312.57 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[5.5]undecan-3-ol is sourced from PubChem (CID 19390047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).