8-(2-tert-butylsilyloxypropan-2-yl)naphthalene-1-carbaldehyde

C18H24O2Si — CID 137328531

IUPAC8-(2-tert-butylsilyloxypropan-2-yl)naphthalene-1-carbaldehyde
SMILESCC(C)(C)[SiH2]OC(C)(C)c1cccc2cccc(C=O)c12
InChIInChI=1S/C18H24O2Si/c1-17(2,3)21-20-18(4,5)15-11-7-9-13-8-6-10-14(12-19)16(13)15/h6-12H,21H2,1-5H3
InChIKeyQCYJSKNKPSTMNM-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.21
Rot. Bonds4

About 8-(2-tert-butylsilyloxypropan-2-yl)naphthalene-1-carbaldehyde

8-(2-tert-butylsilyloxypropan-2-yl)naphthalene-1-carbaldehyde (PubChem CID 137328531) has the molecular formula C18H24O2Si and a molecular weight of 300.47 g/mol. Its IUPAC name is 8-(2-tert-butylsilyloxypropan-2-yl)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name8-(2-tert-butylsilyloxypropan-2-yl)naphthalene-1-carbaldehyde
PubChem CID137328531
Molecular FormulaC18H24O2Si
Molecular Weight300.47 g/mol
Exact Mass300.15
IUPAC Name8-(2-tert-butylsilyloxypropan-2-yl)naphthalene-1-carbaldehyde
SMILESCC(C)(C)[SiH2]OC(C)(C)c1cccc2cccc(C=O)c12
InChIInChI=1S/C18H24O2Si/c1-17(2,3)21-20-18(4,5)15-11-7-9-13-8-6-10-14(12-19)16(13)15/h6-12H,21H2,1-5H3
InChIKeyQCYJSKNKPSTMNM-UHFFFAOYSA-N
XLogP4.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.21
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 8-(2-tert-butylsilyloxypropan-2-yl)naphthalene-1-carbaldehyde?
The IUPAC name of 8-(2-tert-butylsilyloxypropan-2-yl)naphthalene-1-carbaldehyde (CID 137328531) is 8-(2-tert-butylsilyloxypropan-2-yl)naphthalene-1-carbaldehyde.
What is the SMILES notation for 8-(2-tert-butylsilyloxypropan-2-yl)naphthalene-1-carbaldehyde?
The canonical SMILES for 8-(2-tert-butylsilyloxypropan-2-yl)naphthalene-1-carbaldehyde is CC(C)(C)[SiH2]OC(C)(C)c1cccc2cccc(C=O)c12.
What is the InChIKey of 8-(2-tert-butylsilyloxypropan-2-yl)naphthalene-1-carbaldehyde?
The InChIKey is QCYJSKNKPSTMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2Si/c1-17(2,3)21-20-18(4,5)15-11-7-9-13-8-6-10-14(12-19)16(13)15/h6-12H,21H2,1-5H3.
What are the key properties of 8-(2-tert-butylsilyloxypropan-2-yl)naphthalene-1-carbaldehyde?
8-(2-tert-butylsilyloxypropan-2-yl)naphthalene-1-carbaldehyde has a molecular weight of 300.47 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-tert-butylsilyloxypropan-2-yl)naphthalene-1-carbaldehyde is sourced from PubChem (CID 137328531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).