CID 167346597

C6H9O2Si — CID 167346597

IUPAC—
SMILESCC1OC(=O)CCC1[Si]
InChIInChI=1S/C6H9O2Si/c1-4-5(9)2-3-6(7)8-4/h4-5H,2-3H2,1H3
InChIKeyUXYCZORXNRNJMX-UHFFFAOYSA-N
MW141.22 g/mol
LogP0.67
Rot. Bonds

About CID 167346597

CID 167346597 (PubChem CID 167346597) has the molecular formula C6H9O2Si and a molecular weight of 141.22 g/mol.

Molecular Properties

Compound NameCID 167346597
PubChem CID167346597
Molecular FormulaC6H9O2Si
Molecular Weight141.22 g/mol
Exact Mass141.04
IUPAC Name—
SMILESCC1OC(=O)CCC1[Si]
InChIInChI=1S/C6H9O2Si/c1-4-5(9)2-3-6(7)8-4/h4-5H,2-3H2,1H3
InChIKeyUXYCZORXNRNJMX-UHFFFAOYSA-N
XLogP0.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5R,6S)-5-iodo-6-methyloxan-2-one
CID 134865447
5-methyloxolan-2-one
CID 69397003
(5R,6S)-5-(dimethylamino)-6-methyloxan-2-one
CID 10920770
(5R,6R)-5-ethenyl-6-methyloxan-2-one
CID 11320973
9,10-dimethyloxecan-2-one
CID 102227238
6-methyloxan-2-one;5-methyloxolan-2-one
CID 142135496
6-methyl-5-pentyloxan-2-one
CID 170782002
6-methyloxan-2-one
CID 160564586
(5S)-5-(sulfanylmethyl)oxolan-2-one
CID 59949087
(5R,6R)-5-(4-methoxyphenyl)-6-methyloxan-2-one
CID 15417025
5-iodooxolan-2-one
CID 89119315
5,12-dimethyl-oxacyclododecan-2-one
CID 162413653

Frequently Asked Questions

What is the IUPAC name of CID 167346597?
The IUPAC name of CID 167346597 (CID 167346597) is not available.
What is the SMILES notation for CID 167346597?
The canonical SMILES for CID 167346597 is CC1OC(=O)CCC1[Si].
What is the InChIKey of CID 167346597?
The InChIKey is UXYCZORXNRNJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9O2Si/c1-4-5(9)2-3-6(7)8-4/h4-5H,2-3H2,1H3.
What are the key properties of CID 167346597?
CID 167346597 has a molecular weight of 141.22 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167346597 is sourced from PubChem (CID 167346597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).