2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7,8,9,10-tetrahydro-6H-benzo[8]annulen-5-ol

C19H32O2Si — CID 66557261

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7,8,9,10-tetrahydro-6H-benzo[8]annulen-5-ol
SMILESCC1(O)CCCCCc2cc(O[Si](C)(C)C(C)(C)C)ccc21
InChIInChI=1S/C19H32O2Si/c1-18(2,3)22(5,6)21-16-11-12-17-15(14-16)10-8-7-9-13-19(17,4)20/h11-12,14,20H,7-10,13H2,1-6H3
InChIKeyAVGJBWUTQUIPOS-UHFFFAOYSA-N
MW320.55 g/mol
LogP5.39
Rot. Bonds2

About 2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7,8,9,10-tetrahydro-6H-benzo[8]annulen-5-ol

2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7,8,9,10-tetrahydro-6H-benzo[8]annulen-5-ol (PubChem CID 66557261) has the molecular formula C19H32O2Si and a molecular weight of 320.55 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7,8,9,10-tetrahydro-6H-benzo[8]annulen-5-ol.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7,8,9,10-tetrahydro-6H-benzo[8]annulen-5-ol
PubChem CID66557261
Molecular FormulaC19H32O2Si
Molecular Weight320.55 g/mol
Exact Mass320.22
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7,8,9,10-tetrahydro-6H-benzo[8]annulen-5-ol
SMILESCC1(O)CCCCCc2cc(O[Si](C)(C)C(C)(C)C)ccc21
InChIInChI=1S/C19H32O2Si/c1-18(2,3)22(5,6)21-16-11-12-17-15(14-16)10-8-7-9-13-19(17,4)20/h11-12,14,20H,7-10,13H2,1-6H3
InChIKeyAVGJBWUTQUIPOS-UHFFFAOYSA-N
XLogP5.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.55
LogP ≤ 55.39
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 2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7,8,9,10-tetrahydro-6H-benzo[8]annulen-5-ol?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7,8,9,10-tetrahydro-6H-benzo[8]annulen-5-ol (CID 66557261) is 2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7,8,9,10-tetrahydro-6H-benzo[8]annulen-5-ol.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7,8,9,10-tetrahydro-6H-benzo[8]annulen-5-ol?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7,8,9,10-tetrahydro-6H-benzo[8]annulen-5-ol is CC1(O)CCCCCc2cc(O[Si](C)(C)C(C)(C)C)ccc21.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7,8,9,10-tetrahydro-6H-benzo[8]annulen-5-ol?
The InChIKey is AVGJBWUTQUIPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2Si/c1-18(2,3)22(5,6)21-16-11-12-17-15(14-16)10-8-7-9-13-19(17,4)20/h11-12,14,20H,7-10,13H2,1-6H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7,8,9,10-tetrahydro-6H-benzo[8]annulen-5-ol?
2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7,8,9,10-tetrahydro-6H-benzo[8]annulen-5-ol has a molecular weight of 320.55 g/mol, XLogP of 5.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7,8,9,10-tetrahydro-6H-benzo[8]annulen-5-ol is sourced from PubChem (CID 66557261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).