[(1S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2H-naphthalen-1-yl]methanol

C18H27ClO2Si — CID 162101194

IUPAC[(1S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2H-naphthalen-1-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OC[C@@]1(CO)CC=Cc2cc(Cl)ccc21
InChIInChI=1S/C18H27ClO2Si/c1-17(2,3)22(4,5)21-13-18(12-20)10-6-7-14-11-15(19)8-9-16(14)18/h6-9,11,20H,10,12-13H2,1-5H3/t18-/m0/s1
InChIKeyUBXMGVHXEIXBLZ-SFHVURJKSA-N
MW338.95 g/mol
LogP5.01
Rot. Bonds4

About [(1S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2H-naphthalen-1-yl]methanol

[(1S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2H-naphthalen-1-yl]methanol (PubChem CID 162101194) has the molecular formula C18H27ClO2Si and a molecular weight of 338.95 g/mol. Its IUPAC name is [(1S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2H-naphthalen-1-yl]methanol.

Molecular Properties

Compound Name[(1S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2H-naphthalen-1-yl]methanol
PubChem CID162101194
Molecular FormulaC18H27ClO2Si
Molecular Weight338.95 g/mol
Exact Mass338.15
IUPAC Name[(1S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2H-naphthalen-1-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OC[C@@]1(CO)CC=Cc2cc(Cl)ccc21
InChIInChI=1S/C18H27ClO2Si/c1-17(2,3)22(4,5)21-13-18(12-20)10-6-7-14-11-15(19)8-9-16(14)18/h6-9,11,20H,10,12-13H2,1-5H3/t18-/m0/s1
InChIKeyUBXMGVHXEIXBLZ-SFHVURJKSA-N
XLogP5.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.95
LogP ≤ 55.01
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)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2H-naphthalen-1-yl]methanol?
The IUPAC name of [(1S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2H-naphthalen-1-yl]methanol (CID 162101194) is [(1S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2H-naphthalen-1-yl]methanol.
What is the SMILES notation for [(1S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2H-naphthalen-1-yl]methanol?
The canonical SMILES for [(1S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2H-naphthalen-1-yl]methanol is CC(C)(C)[Si](C)(C)OC[C@@]1(CO)CC=Cc2cc(Cl)ccc21.
What is the InChIKey of [(1S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2H-naphthalen-1-yl]methanol?
The InChIKey is UBXMGVHXEIXBLZ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H27ClO2Si/c1-17(2,3)22(4,5)21-13-18(12-20)10-6-7-14-11-15(19)8-9-16(14)18/h6-9,11,20H,10,12-13H2,1-5H3/t18-/m0/s1.
What are the key properties of [(1S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2H-naphthalen-1-yl]methanol?
[(1S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2H-naphthalen-1-yl]methanol has a molecular weight of 338.95 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2H-naphthalen-1-yl]methanol is sourced from PubChem (CID 162101194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).