CID 87592906

C16H26O6Si — CID 87592906

IUPAC—
SMILESC=CC(=O)OC(CC(C)C)C(C)C[Si]C(OC(C)=O)OC(C)=O
InChIInChI=1S/C16H26O6Si/c1-7-15(19)22-14(8-10(2)3)11(4)9-23-16(20-12(5)17)21-13(6)18/h7,10-11,14,16H,1,8-9H2,2-6H3
InChIKeyHXKRIRBHYAHZIV-UHFFFAOYSA-N
MW342.46 g/mol
LogP2.30
Rot. Bonds10

About CID 87592906

CID 87592906 (PubChem CID 87592906) has the molecular formula C16H26O6Si and a molecular weight of 342.46 g/mol.

Molecular Properties

Compound NameCID 87592906
PubChem CID87592906
Molecular FormulaC16H26O6Si
Molecular Weight342.46 g/mol
Exact Mass342.15
IUPAC Name—
SMILESC=CC(=O)OC(CC(C)C)C(C)C[Si]C(OC(C)=O)OC(C)=O
InChIInChI=1S/C16H26O6Si/c1-7-15(19)22-14(8-10(2)3)11(4)9-23-16(20-12(5)17)21-13(6)18/h7,10-11,14,16H,1,8-9H2,2-6H3
InChIKeyHXKRIRBHYAHZIV-UHFFFAOYSA-N
XLogP2.30
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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(5-hydroxy-2,7-dimethyloctan-4-yl) acetate
CID 141029389
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CID 87143951
bis(4,6-dimethylhept-1-en-3-yl) (E)-but-2-enedioate
CID 88674381
1-acetyloxypropan-2-yl prop-2-enoate
CID 87413306
5-methylhexan-2-yl prop-2-enoate
CID 151222941
3-ethylheptan-4-yl prop-2-enoate
CID 123986793
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
3,4-dimethylpent-3-en-2-yl prop-2-enoate
CID 175606841
4-methylpent-4-en-2-yl prop-2-enoate
CID 102248237
1-triacetyloxysilylethyl prop-2-enoate
CID 19827247
CID 87143851
CID 87143851

Frequently Asked Questions

What is the IUPAC name of CID 87592906?
The IUPAC name of CID 87592906 (CID 87592906) is not available.
What is the SMILES notation for CID 87592906?
The canonical SMILES for CID 87592906 is C=CC(=O)OC(CC(C)C)C(C)C[Si]C(OC(C)=O)OC(C)=O.
What is the InChIKey of CID 87592906?
The InChIKey is HXKRIRBHYAHZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O6Si/c1-7-15(19)22-14(8-10(2)3)11(4)9-23-16(20-12(5)17)21-13(6)18/h7,10-11,14,16H,1,8-9H2,2-6H3.
What are the key properties of CID 87592906?
CID 87592906 has a molecular weight of 342.46 g/mol, XLogP of 2.30, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87592906 is sourced from PubChem (CID 87592906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).