CID 156703018

C9H17O3Si — CID 156703018

IUPAC—
SMILESCCC(CC(C)O[Si])OCC1CO1
InChIInChI=1S/C9H17O3Si/c1-3-8(4-7(2)12-13)10-5-9-6-11-9/h7-9H,3-6H2,1-2H3
InChIKeyPNJWAQFIQJJAOB-UHFFFAOYSA-N
MW201.32 g/mol
LogP1.06
Rot. Bonds7

About CID 156703018

CID 156703018 (PubChem CID 156703018) has the molecular formula C9H17O3Si and a molecular weight of 201.32 g/mol.

Molecular Properties

Compound NameCID 156703018
PubChem CID156703018
Molecular FormulaC9H17O3Si
Molecular Weight201.32 g/mol
Exact Mass201.09
IUPAC Name—
SMILESCCC(CC(C)O[Si])OCC1CO1
InChIInChI=1S/C9H17O3Si/c1-3-8(4-7(2)12-13)10-5-9-6-11-9/h7-9H,3-6H2,1-2H3
InChIKeyPNJWAQFIQJJAOB-UHFFFAOYSA-N
XLogP1.06
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.32
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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2-[(7-ethyl-5,5,7-trimethylnonan-3-yl)oxymethyl]oxirane
CID 89079349
2-(1-bromoethoxymethyl)oxirane
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2-(1-iodoethoxymethyl)oxirane
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Frequently Asked Questions

What is the IUPAC name of CID 156703018?
The IUPAC name of CID 156703018 (CID 156703018) is not available.
What is the SMILES notation for CID 156703018?
The canonical SMILES for CID 156703018 is CCC(CC(C)O[Si])OCC1CO1.
What is the InChIKey of CID 156703018?
The InChIKey is PNJWAQFIQJJAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O3Si/c1-3-8(4-7(2)12-13)10-5-9-6-11-9/h7-9H,3-6H2,1-2H3.
What are the key properties of CID 156703018?
CID 156703018 has a molecular weight of 201.32 g/mol, XLogP of 1.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156703018 is sourced from PubChem (CID 156703018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).