1-trimethylsilyloxycyclopentane-1-carbaldehyde

C9H18O2Si — CID 86652437

IUPAC1-trimethylsilyloxycyclopentane-1-carbaldehyde
SMILESC[Si](C)(C)OC1(C=O)CCCC1
InChIInChI=1S/C9H18O2Si/c1-12(2,3)11-9(8-10)6-4-5-7-9/h8H,4-7H2,1-3H3
InChIKeyRHCXSJZUSMLFES-UHFFFAOYSA-N
MW186.33 g/mol
LogP2.35
Rot. Bonds3

About 1-trimethylsilyloxycyclopentane-1-carbaldehyde

1-trimethylsilyloxycyclopentane-1-carbaldehyde (PubChem CID 86652437) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is 1-trimethylsilyloxycyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-trimethylsilyloxycyclopentane-1-carbaldehyde
PubChem CID86652437
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Name1-trimethylsilyloxycyclopentane-1-carbaldehyde
SMILESC[Si](C)(C)OC1(C=O)CCCC1
InChIInChI=1S/C9H18O2Si/c1-12(2,3)11-9(8-10)6-4-5-7-9/h8H,4-7H2,1-3H3
InChIKeyRHCXSJZUSMLFES-UHFFFAOYSA-N
XLogP2.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 52.35
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-trimethylsilyloxycyclopentane-1-carbaldehyde?
The IUPAC name of 1-trimethylsilyloxycyclopentane-1-carbaldehyde (CID 86652437) is 1-trimethylsilyloxycyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-trimethylsilyloxycyclopentane-1-carbaldehyde?
The canonical SMILES for 1-trimethylsilyloxycyclopentane-1-carbaldehyde is C[Si](C)(C)OC1(C=O)CCCC1.
What is the InChIKey of 1-trimethylsilyloxycyclopentane-1-carbaldehyde?
The InChIKey is RHCXSJZUSMLFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-12(2,3)11-9(8-10)6-4-5-7-9/h8H,4-7H2,1-3H3.
What are the key properties of 1-trimethylsilyloxycyclopentane-1-carbaldehyde?
1-trimethylsilyloxycyclopentane-1-carbaldehyde has a molecular weight of 186.33 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilyloxycyclopentane-1-carbaldehyde is sourced from PubChem (CID 86652437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).