CID 136913604

C9H18O2Si — CID 136913604

IUPAC—
SMILESC=CC[Si]OCCOCC(C)C
InChIInChI=1S/C9H18O2Si/c1-4-7-12-11-6-5-10-8-9(2)3/h4,9H,1,5-8H2,2-3H3
InChIKeyFPKGTBDHZOIUEG-UHFFFAOYSA-N
MW186.33 g/mol
LogP1.90
Rot. Bonds8

About CID 136913604

CID 136913604 (PubChem CID 136913604) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol.

Molecular Properties

Compound NameCID 136913604
PubChem CID136913604
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Name—
SMILESC=CC[Si]OCCOCC(C)C
InChIInChI=1S/C9H18O2Si/c1-4-7-12-11-6-5-10-8-9(2)3/h4,9H,1,5-8H2,2-3H3
InChIKeyFPKGTBDHZOIUEG-UHFFFAOYSA-N
XLogP1.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

CID 136913601
CID 136913601
CID 162352788
CID 162352788
2-methyl-1-[3-(2-methylpropoxy)propoxy]propane
CID 22020669
3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane
CID 90326526
(2S)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine
CID 106447202
2-methyl-1-[1-[2-[2-(2-methylpropoxy)propoxy]ethoxy]propan-2-yloxy]propane
CID 58121620
CID 136913499
CID 136913499
5-(2-methylpropoxy)pent-1-en-3-one
CID 161282003
2-(2-methylpropoxy)ethyl acetate
CID 520944
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428225
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 6428226
3-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]propanoic acid
CID 87457805

Frequently Asked Questions

What is the IUPAC name of CID 136913604?
The IUPAC name of CID 136913604 (CID 136913604) is not available.
What is the SMILES notation for CID 136913604?
The canonical SMILES for CID 136913604 is C=CC[Si]OCCOCC(C)C.
What is the InChIKey of CID 136913604?
The InChIKey is FPKGTBDHZOIUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-4-7-12-11-6-5-10-8-9(2)3/h4,9H,1,5-8H2,2-3H3.
What are the key properties of CID 136913604?
CID 136913604 has a molecular weight of 186.33 g/mol, XLogP of 1.90, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136913604 is sourced from PubChem (CID 136913604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).