CID 154638047

C12H24O4Si — CID 154638047

IUPAC—
SMILESCCCC(=O)OCCC[Si]C(OCC)OCC
InChIInChI=1S/C12H24O4Si/c1-4-8-11(13)16-9-7-10-17-12(14-5-2)15-6-3/h12H,4-10H2,1-3H3
InChIKeyCJHZWVCMCCOYGF-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.20
Rot. Bonds11

About CID 154638047

CID 154638047 (PubChem CID 154638047) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol.

Molecular Properties

Compound NameCID 154638047
PubChem CID154638047
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name—
SMILESCCCC(=O)OCCC[Si]C(OCC)OCC
InChIInChI=1S/C12H24O4Si/c1-4-8-11(13)16-9-7-10-17-12(14-5-2)15-6-3/h12H,4-10H2,1-3H3
InChIKeyCJHZWVCMCCOYGF-UHFFFAOYSA-N
XLogP2.20
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

pentyl butanoate
CID 10890
pentadecyl butanoate
CID 560582
CID 161369205
CID 161369205
2-butanoyloxyethyl butanoate;methane
CID 161018761
butanoyl 4-butanoyloxybutanoate
CID 88605153
butane;dodecyl butanoate
CID 91569021
3-silylpropyl butanoate
CID 154457340
(3-ethoxy-3-oxopropyl) butanoate
CID 86150326
6-aminohexyl butanoate
CID 15683407
5-butanoyloxypentanoic acid
CID 54166172
4-butanoyloxybutyl heptanoate
CID 176849500
methane;propyl butanoate
CID 157187060

Frequently Asked Questions

What is the IUPAC name of CID 154638047?
The IUPAC name of CID 154638047 (CID 154638047) is not available.
What is the SMILES notation for CID 154638047?
The canonical SMILES for CID 154638047 is CCCC(=O)OCCC[Si]C(OCC)OCC.
What is the InChIKey of CID 154638047?
The InChIKey is CJHZWVCMCCOYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-4-8-11(13)16-9-7-10-17-12(14-5-2)15-6-3/h12H,4-10H2,1-3H3.
What are the key properties of CID 154638047?
CID 154638047 has a molecular weight of 260.41 g/mol, XLogP of 2.20, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154638047 is sourced from PubChem (CID 154638047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).