1,1-dimethylsilinane-4-carbaldehyde

C8H16OSi — CID 174528549

IUPAC1,1-dimethylsilinane-4-carbaldehyde
SMILESC[Si]1(C)CCC(C=O)CC1
InChIInChI=1S/C8H16OSi/c1-10(2)5-3-8(7-9)4-6-10/h7-8H,3-6H2,1-2H3
InChIKeyPFJJEVYKSNYXKM-UHFFFAOYSA-N
MW156.30 g/mol
LogP2.30
Rot. Bonds1

About 1,1-dimethylsilinane-4-carbaldehyde

1,1-dimethylsilinane-4-carbaldehyde (PubChem CID 174528549) has the molecular formula C8H16OSi and a molecular weight of 156.30 g/mol. Its IUPAC name is 1,1-dimethylsilinane-4-carbaldehyde.

Molecular Properties

Compound Name1,1-dimethylsilinane-4-carbaldehyde
PubChem CID174528549
Molecular FormulaC8H16OSi
Molecular Weight156.30 g/mol
Exact Mass156.10
IUPAC Name1,1-dimethylsilinane-4-carbaldehyde
SMILESC[Si]1(C)CCC(C=O)CC1
InChIInChI=1S/C8H16OSi/c1-10(2)5-3-8(7-9)4-6-10/h7-8H,3-6H2,1-2H3
InChIKeyPFJJEVYKSNYXKM-UHFFFAOYSA-N
XLogP2.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.30
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,1-dimethylsilinane-4-carbaldehyde?
The IUPAC name of 1,1-dimethylsilinane-4-carbaldehyde (CID 174528549) is 1,1-dimethylsilinane-4-carbaldehyde.
What is the SMILES notation for 1,1-dimethylsilinane-4-carbaldehyde?
The canonical SMILES for 1,1-dimethylsilinane-4-carbaldehyde is C[Si]1(C)CCC(C=O)CC1.
What is the InChIKey of 1,1-dimethylsilinane-4-carbaldehyde?
The InChIKey is PFJJEVYKSNYXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OSi/c1-10(2)5-3-8(7-9)4-6-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 1,1-dimethylsilinane-4-carbaldehyde?
1,1-dimethylsilinane-4-carbaldehyde has a molecular weight of 156.30 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylsilinane-4-carbaldehyde is sourced from PubChem (CID 174528549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).