2-[1-(3-methylbutyl)silinan-4-yl]acetaldehyde

C12H24OSi — CID 154079935

IUPAC2-[1-(3-methylbutyl)silinan-4-yl]acetaldehyde
SMILESCC(C)CC[SiH]1CCC(CC=O)CC1
InChIInChI=1S/C12H24OSi/c1-11(2)4-8-14-9-5-12(3-7-13)6-10-14/h7,11-12,14H,3-6,8-10H2,1-2H3
InChIKeyRNUCFAVAEGHCGL-UHFFFAOYSA-N
MW212.41 g/mol
LogP3.26
Rot. Bonds5

About 2-[1-(3-methylbutyl)silinan-4-yl]acetaldehyde

2-[1-(3-methylbutyl)silinan-4-yl]acetaldehyde (PubChem CID 154079935) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is 2-[1-(3-methylbutyl)silinan-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[1-(3-methylbutyl)silinan-4-yl]acetaldehyde
PubChem CID154079935
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Name2-[1-(3-methylbutyl)silinan-4-yl]acetaldehyde
SMILESCC(C)CC[SiH]1CCC(CC=O)CC1
InChIInChI=1S/C12H24OSi/c1-11(2)4-8-14-9-5-12(3-7-13)6-10-14/h7,11-12,14H,3-6,8-10H2,1-2H3
InChIKeyRNUCFAVAEGHCGL-UHFFFAOYSA-N
XLogP3.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 53.26
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'}

Analyze 2-[1-(3-methylbutyl)silinan-4-yl]acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylbutyl)silinan-4-yl]acetaldehyde?
The IUPAC name of 2-[1-(3-methylbutyl)silinan-4-yl]acetaldehyde (CID 154079935) is 2-[1-(3-methylbutyl)silinan-4-yl]acetaldehyde.
What is the SMILES notation for 2-[1-(3-methylbutyl)silinan-4-yl]acetaldehyde?
The canonical SMILES for 2-[1-(3-methylbutyl)silinan-4-yl]acetaldehyde is CC(C)CC[SiH]1CCC(CC=O)CC1.
What is the InChIKey of 2-[1-(3-methylbutyl)silinan-4-yl]acetaldehyde?
The InChIKey is RNUCFAVAEGHCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OSi/c1-11(2)4-8-14-9-5-12(3-7-13)6-10-14/h7,11-12,14H,3-6,8-10H2,1-2H3.
What are the key properties of 2-[1-(3-methylbutyl)silinan-4-yl]acetaldehyde?
2-[1-(3-methylbutyl)silinan-4-yl]acetaldehyde has a molecular weight of 212.41 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylbutyl)silinan-4-yl]acetaldehyde is sourced from PubChem (CID 154079935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).