5-[but-2-en-2-ylsilylmethyl(dimethyl)silyl]pentan-2-yl hydrogen carbonate

C13H28O3Si2 — CID 175003079

IUPAC5-[but-2-en-2-ylsilylmethyl(dimethyl)silyl]pentan-2-yl hydrogen carbonate
SMILESCC=C(C)[SiH2]C[Si](C)(C)CCCC(C)OC(=O)O
InChIInChI=1S/C13H28O3Si2/c1-6-12(3)17-10-18(4,5)9-7-8-11(2)16-13(14)15/h6,11H,7-10,17H2,1-5H3,(H,14,15)
InChIKeySBHHGTAWAVXHBV-UHFFFAOYSA-N
MW288.54 g/mol
LogP3.61
Rot. Bonds8

About 5-[but-2-en-2-ylsilylmethyl(dimethyl)silyl]pentan-2-yl hydrogen carbonate

5-[but-2-en-2-ylsilylmethyl(dimethyl)silyl]pentan-2-yl hydrogen carbonate (PubChem CID 175003079) has the molecular formula C13H28O3Si2 and a molecular weight of 288.54 g/mol. Its IUPAC name is 5-[but-2-en-2-ylsilylmethyl(dimethyl)silyl]pentan-2-yl hydrogen carbonate.

Molecular Properties

Compound Name5-[but-2-en-2-ylsilylmethyl(dimethyl)silyl]pentan-2-yl hydrogen carbonate
PubChem CID175003079
Molecular FormulaC13H28O3Si2
Molecular Weight288.54 g/mol
Exact Mass288.16
IUPAC Name5-[but-2-en-2-ylsilylmethyl(dimethyl)silyl]pentan-2-yl hydrogen carbonate
SMILESCC=C(C)[SiH2]C[Si](C)(C)CCCC(C)OC(=O)O
InChIInChI=1S/C13H28O3Si2/c1-6-12(3)17-10-18(4,5)9-7-8-11(2)16-13(14)15/h6,11H,7-10,17H2,1-5H3,(H,14,15)
InChIKeySBHHGTAWAVXHBV-UHFFFAOYSA-N
XLogP3.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.54
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-[but-2-en-2-ylsilylmethyl(dimethyl)silyl]pentan-2-yl hydrogen carbonate 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 5-[but-2-en-2-ylsilylmethyl(dimethyl)silyl]pentan-2-yl hydrogen carbonate?
The IUPAC name of 5-[but-2-en-2-ylsilylmethyl(dimethyl)silyl]pentan-2-yl hydrogen carbonate (CID 175003079) is 5-[but-2-en-2-ylsilylmethyl(dimethyl)silyl]pentan-2-yl hydrogen carbonate.
What is the SMILES notation for 5-[but-2-en-2-ylsilylmethyl(dimethyl)silyl]pentan-2-yl hydrogen carbonate?
The canonical SMILES for 5-[but-2-en-2-ylsilylmethyl(dimethyl)silyl]pentan-2-yl hydrogen carbonate is CC=C(C)[SiH2]C[Si](C)(C)CCCC(C)OC(=O)O.
What is the InChIKey of 5-[but-2-en-2-ylsilylmethyl(dimethyl)silyl]pentan-2-yl hydrogen carbonate?
The InChIKey is SBHHGTAWAVXHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si2/c1-6-12(3)17-10-18(4,5)9-7-8-11(2)16-13(14)15/h6,11H,7-10,17H2,1-5H3,(H,14,15).
What are the key properties of 5-[but-2-en-2-ylsilylmethyl(dimethyl)silyl]pentan-2-yl hydrogen carbonate?
5-[but-2-en-2-ylsilylmethyl(dimethyl)silyl]pentan-2-yl hydrogen carbonate has a molecular weight of 288.54 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[but-2-en-2-ylsilylmethyl(dimethyl)silyl]pentan-2-yl hydrogen carbonate is sourced from PubChem (CID 175003079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).