CID 54571627

C8H17O3Si — CID 54571627

IUPAC—
SMILESC=CCCO[Si](OCC)OCC
InChIInChI=1S/C8H17O3Si/c1-4-7-8-11-12(9-5-2)10-6-3/h4H,1,5-8H2,2-3H3
InChIKeyLOEYCRDASAVBLP-UHFFFAOYSA-N
MW189.31 g/mol
LogP1.64
Rot. Bonds8

About CID 54571627

CID 54571627 (PubChem CID 54571627) has the molecular formula C8H17O3Si and a molecular weight of 189.31 g/mol.

Molecular Properties

Compound NameCID 54571627
PubChem CID54571627
Molecular FormulaC8H17O3Si
Molecular Weight189.31 g/mol
Exact Mass189.09
IUPAC Name—
SMILESC=CCCO[Si](OCC)OCC
InChIInChI=1S/C8H17O3Si/c1-4-7-8-11-12(9-5-2)10-6-3/h4H,1,5-8H2,2-3H3
InChIKeyLOEYCRDASAVBLP-UHFFFAOYSA-N
XLogP1.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.31
LogP ≤ 51.64
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-ethoxybut-1-ene
CID 533994
bis(but-3-enoxy)silane
CID 123606588
ethyl hex-5-enyl carbonate
CID 45140691
diethyl 2-but-3-enoxypropanedioate
CID 88610894
ethyl N-but-3-enoxycarbonylcarbamate
CID 15307637
11-(2-ethoxyethoxy)undec-1-ene
CID 142718569
11-[2-(2-ethoxyethoxy)ethoxy]undec-1-ene
CID 142718592
ethyl 3-but-3-enoxypropanoate
CID 43174166
5-(pent-4-enoxymethoxy)pent-1-ene
CID 102227605
ethyl 3-pent-4-enoxypropanoate
CID 79113239
2-pent-4-enoxypentan-3-one
CID 79112811
4-(1,1-difluoropropoxy)but-1-ene
CID 88900247

Frequently Asked Questions

What is the IUPAC name of CID 54571627?
The IUPAC name of CID 54571627 (CID 54571627) is not available.
What is the SMILES notation for CID 54571627?
The canonical SMILES for CID 54571627 is C=CCCO[Si](OCC)OCC.
What is the InChIKey of CID 54571627?
The InChIKey is LOEYCRDASAVBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O3Si/c1-4-7-8-11-12(9-5-2)10-6-3/h4H,1,5-8H2,2-3H3.
What are the key properties of CID 54571627?
CID 54571627 has a molecular weight of 189.31 g/mol, XLogP of 1.64, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54571627 is sourced from PubChem (CID 54571627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).