3-trimethylsilyloxy-1H-cyclopenta[b]naphthalene-2-carbaldehyde

C17H18O2Si — CID 155663312

IUPAC3-trimethylsilyloxy-1H-cyclopenta[b]naphthalene-2-carbaldehyde
SMILESC[Si](C)(C)OC1=C(C=O)Cc2cc3ccccc3cc21
InChIInChI=1S/C17H18O2Si/c1-20(2,3)19-17-15(11-18)9-14-8-12-6-4-5-7-13(12)10-16(14)17/h4-8,10-11H,9H2,1-3H3
InChIKeyFGVKCSDKOGKASB-UHFFFAOYSA-N
MW282.42 g/mol
LogP4.16
Rot. Bonds3

About 3-trimethylsilyloxy-1H-cyclopenta[b]naphthalene-2-carbaldehyde

3-trimethylsilyloxy-1H-cyclopenta[b]naphthalene-2-carbaldehyde (PubChem CID 155663312) has the molecular formula C17H18O2Si and a molecular weight of 282.42 g/mol. Its IUPAC name is 3-trimethylsilyloxy-1H-cyclopenta[b]naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name3-trimethylsilyloxy-1H-cyclopenta[b]naphthalene-2-carbaldehyde
PubChem CID155663312
Molecular FormulaC17H18O2Si
Molecular Weight282.42 g/mol
Exact Mass282.11
IUPAC Name3-trimethylsilyloxy-1H-cyclopenta[b]naphthalene-2-carbaldehyde
SMILESC[Si](C)(C)OC1=C(C=O)Cc2cc3ccccc3cc21
InChIInChI=1S/C17H18O2Si/c1-20(2,3)19-17-15(11-18)9-14-8-12-6-4-5-7-13(12)10-16(14)17/h4-8,10-11H,9H2,1-3H3
InChIKeyFGVKCSDKOGKASB-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 54.16
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 3-trimethylsilyloxy-1H-cyclopenta[b]naphthalene-2-carbaldehyde?
The IUPAC name of 3-trimethylsilyloxy-1H-cyclopenta[b]naphthalene-2-carbaldehyde (CID 155663312) is 3-trimethylsilyloxy-1H-cyclopenta[b]naphthalene-2-carbaldehyde.
What is the SMILES notation for 3-trimethylsilyloxy-1H-cyclopenta[b]naphthalene-2-carbaldehyde?
The canonical SMILES for 3-trimethylsilyloxy-1H-cyclopenta[b]naphthalene-2-carbaldehyde is C[Si](C)(C)OC1=C(C=O)Cc2cc3ccccc3cc21.
What is the InChIKey of 3-trimethylsilyloxy-1H-cyclopenta[b]naphthalene-2-carbaldehyde?
The InChIKey is FGVKCSDKOGKASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2Si/c1-20(2,3)19-17-15(11-18)9-14-8-12-6-4-5-7-13(12)10-16(14)17/h4-8,10-11H,9H2,1-3H3.
What are the key properties of 3-trimethylsilyloxy-1H-cyclopenta[b]naphthalene-2-carbaldehyde?
3-trimethylsilyloxy-1H-cyclopenta[b]naphthalene-2-carbaldehyde has a molecular weight of 282.42 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilyloxy-1H-cyclopenta[b]naphthalene-2-carbaldehyde is sourced from PubChem (CID 155663312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).