CID 87397752

C14H31O3Si — CID 87397752

IUPAC—
SMILESCCO[Si](OCC)OC(C)CCCCCC(C)C
InChIInChI=1S/C14H31O3Si/c1-6-15-18(16-7-2)17-14(5)12-10-8-9-11-13(3)4/h13-14H,6-12H2,1-5H3
InChIKeyCAFMQEGGMXOFLY-UHFFFAOYSA-N
MW275.49 g/mol
LogP4.06
Rot. Bonds12

About CID 87397752

CID 87397752 (PubChem CID 87397752) has the molecular formula C14H31O3Si and a molecular weight of 275.49 g/mol.

Molecular Properties

Compound NameCID 87397752
PubChem CID87397752
Molecular FormulaC14H31O3Si
Molecular Weight275.49 g/mol
Exact Mass275.20
IUPAC Name—
SMILESCCO[Si](OCC)OC(C)CCCCCC(C)C
InChIInChI=1S/C14H31O3Si/c1-6-15-18(16-7-2)17-14(5)12-10-8-9-11-13(3)4/h13-14H,6-12H2,1-5H3
InChIKeyCAFMQEGGMXOFLY-UHFFFAOYSA-N
XLogP4.06
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.49
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 87397752?
The IUPAC name of CID 87397752 (CID 87397752) is not available.
What is the SMILES notation for CID 87397752?
The canonical SMILES for CID 87397752 is CCO[Si](OCC)OC(C)CCCCCC(C)C.
What is the InChIKey of CID 87397752?
The InChIKey is CAFMQEGGMXOFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31O3Si/c1-6-15-18(16-7-2)17-14(5)12-10-8-9-11-13(3)4/h13-14H,6-12H2,1-5H3.
What are the key properties of CID 87397752?
CID 87397752 has a molecular weight of 275.49 g/mol, XLogP of 4.06, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87397752 is sourced from PubChem (CID 87397752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).