1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentane-1-carbaldehyde

C13H26O2Si — CID 88861551

IUPAC1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentane-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OCC1(C=O)CCCC1
InChIInChI=1S/C13H26O2Si/c1-12(2,3)16(4,5)15-11-13(10-14)8-6-7-9-13/h10H,6-9,11H2,1-5H3
InChIKeyDZHDNIFJEAGYHQ-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.77
Rot. Bonds4

About 1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentane-1-carbaldehyde

1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentane-1-carbaldehyde (PubChem CID 88861551) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is 1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentane-1-carbaldehyde
PubChem CID88861551
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentane-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OCC1(C=O)CCCC1
InChIInChI=1S/C13H26O2Si/c1-12(2,3)16(4,5)15-11-13(10-14)8-6-7-9-13/h10H,6-9,11H2,1-5H3
InChIKeyDZHDNIFJEAGYHQ-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.77
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 1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentane-1-carbaldehyde?
The IUPAC name of 1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentane-1-carbaldehyde (CID 88861551) is 1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentane-1-carbaldehyde?
The canonical SMILES for 1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentane-1-carbaldehyde is CC(C)(C)[Si](C)(C)OCC1(C=O)CCCC1.
What is the InChIKey of 1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentane-1-carbaldehyde?
The InChIKey is DZHDNIFJEAGYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-12(2,3)16(4,5)15-11-13(10-14)8-6-7-9-13/h10H,6-9,11H2,1-5H3.
What are the key properties of 1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentane-1-carbaldehyde?
1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentane-1-carbaldehyde has a molecular weight of 242.43 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentane-1-carbaldehyde is sourced from PubChem (CID 88861551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).