(1R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2H-naphthalene-1-carbaldehyde

C18H25ClO2Si — CID 162101193

IUPAC(1R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2H-naphthalene-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@@]1(C=O)CC=Cc2cc(Cl)ccc21
InChIInChI=1S/C18H25ClO2Si/c1-17(2,3)22(4,5)21-13-18(12-20)10-6-7-14-11-15(19)8-9-16(14)18/h6-9,11-12H,10,13H2,1-5H3/t18-/m0/s1
InChIKeyGJHYYBQCUCJCAQ-SFHVURJKSA-N
MW336.94 g/mol
LogP5.22
Rot. Bonds4

About (1R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2H-naphthalene-1-carbaldehyde

(1R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2H-naphthalene-1-carbaldehyde (PubChem CID 162101193) has the molecular formula C18H25ClO2Si and a molecular weight of 336.94 g/mol. Its IUPAC name is (1R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2H-naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name(1R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2H-naphthalene-1-carbaldehyde
PubChem CID162101193
Molecular FormulaC18H25ClO2Si
Molecular Weight336.94 g/mol
Exact Mass336.13
IUPAC Name(1R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2H-naphthalene-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@@]1(C=O)CC=Cc2cc(Cl)ccc21
InChIInChI=1S/C18H25ClO2Si/c1-17(2,3)22(4,5)21-13-18(12-20)10-6-7-14-11-15(19)8-9-16(14)18/h6-9,11-12H,10,13H2,1-5H3/t18-/m0/s1
InChIKeyGJHYYBQCUCJCAQ-SFHVURJKSA-N
XLogP5.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.94
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2H-naphthalene-1-carbaldehyde?
The IUPAC name of (1R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2H-naphthalene-1-carbaldehyde (CID 162101193) is (1R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2H-naphthalene-1-carbaldehyde.
What is the SMILES notation for (1R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2H-naphthalene-1-carbaldehyde?
The canonical SMILES for (1R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2H-naphthalene-1-carbaldehyde is CC(C)(C)[Si](C)(C)OC[C@@]1(C=O)CC=Cc2cc(Cl)ccc21.
What is the InChIKey of (1R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2H-naphthalene-1-carbaldehyde?
The InChIKey is GJHYYBQCUCJCAQ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H25ClO2Si/c1-17(2,3)22(4,5)21-13-18(12-20)10-6-7-14-11-15(19)8-9-16(14)18/h6-9,11-12H,10,13H2,1-5H3/t18-/m0/s1.
What are the key properties of (1R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2H-naphthalene-1-carbaldehyde?
(1R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2H-naphthalene-1-carbaldehyde has a molecular weight of 336.94 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2H-naphthalene-1-carbaldehyde is sourced from PubChem (CID 162101193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).