CID 87144633

C20H42O4Si2 — CID 87144633

IUPAC—
SMILESCCOC(CCC[Si]CCCC[Si]CCCC(OCC)OCC)OCC
InChIInChI=1S/C20H42O4Si2/c1-5-21-19(22-6-2)13-11-17-25-15-9-10-16-26-18-12-14-20(23-7-3)24-8-4/h19-20H,5-18H2,1-4H3
InChIKeyAOBICBOSUVLPOK-UHFFFAOYSA-N
MW402.72 g/mol
LogP5.21
Rot. Bonds21

About CID 87144633

CID 87144633 (PubChem CID 87144633) has the molecular formula C20H42O4Si2 and a molecular weight of 402.72 g/mol.

Molecular Properties

Compound NameCID 87144633
PubChem CID87144633
Molecular FormulaC20H42O4Si2
Molecular Weight402.72 g/mol
Exact Mass402.26
IUPAC Name—
SMILESCCOC(CCC[Si]CCCC[Si]CCCC(OCC)OCC)OCC
InChIInChI=1S/C20H42O4Si2/c1-5-21-19(22-6-2)13-11-17-25-15-9-10-16-26-18-12-14-20(23-7-3)24-8-4/h19-20H,5-18H2,1-4H3
InChIKeyAOBICBOSUVLPOK-UHFFFAOYSA-N
XLogP5.21
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.72
LogP ≤ 55.21
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

CID 87143887
CID 87143887
4-bromo-1,1-diethoxybutane
CID 568500
potassium 3,3-diethoxypropan-1-olate
CID 23688415
16-bromo-1,1-diethoxyhexadecane
CID 88601641
6,6-diethoxyhexanoic acid;indigane
CID 175089271
4-chloro-1-ethoxy-1-methoxybutane
CID 89207310
CID 87143979
CID 87143979
12,12-diethoxydodec-1-ene
CID 146004846
CID 57451317
CID 57451317
N-(3,3-diethoxypropyl)-3,3-diethoxypropan-1-amine
CID 88541962
1,1,7,7-tetraethoxyheptan-4-amine
CID 10469545
16,16-diethoxyhexadec-3-ene
CID 91492223

Frequently Asked Questions

What is the IUPAC name of CID 87144633?
The IUPAC name of CID 87144633 (CID 87144633) is not available.
What is the SMILES notation for CID 87144633?
The canonical SMILES for CID 87144633 is CCOC(CCC[Si]CCCC[Si]CCCC(OCC)OCC)OCC.
What is the InChIKey of CID 87144633?
The InChIKey is AOBICBOSUVLPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O4Si2/c1-5-21-19(22-6-2)13-11-17-25-15-9-10-16-26-18-12-14-20(23-7-3)24-8-4/h19-20H,5-18H2,1-4H3.
What are the key properties of CID 87144633?
CID 87144633 has a molecular weight of 402.72 g/mol, XLogP of 5.21, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87144633 is sourced from PubChem (CID 87144633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).