CID 167346588

C5H7O2Si — CID 167346588

IUPAC—
SMILESCC1C(=O)OCC1[Si]
InChIInChI=1S/C5H7O2Si/c1-3-4(8)2-7-5(3)6/h3-4H,2H2,1H3
InChIKeyKUTYNAONRQVBPF-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.14
Rot. Bonds

About CID 167346588

CID 167346588 (PubChem CID 167346588) has the molecular formula C5H7O2Si and a molecular weight of 127.19 g/mol.

Molecular Properties

Compound NameCID 167346588
PubChem CID167346588
Molecular FormulaC5H7O2Si
Molecular Weight127.19 g/mol
Exact Mass127.02
IUPAC Name—
SMILESCC1C(=O)OCC1[Si]
InChIInChI=1S/C5H7O2Si/c1-3-4(8)2-7-5(3)6/h3-4H,2H2,1H3
InChIKeyKUTYNAONRQVBPF-UHFFFAOYSA-N
XLogP0.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.14
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

3,4-dimethyloxolan-2-one
CID 15090448
4-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one
CID 14344492
(3R,4R)-4-methyl-5-oxooxolane-3-carboxylic acid
CID 6951610
(3S,4S)-4-methyl-5-oxooxolane-3-carboxylic acid
CID 6951612
4-methyl-5-oxooxolane-3-carboxylic acid
CID 166063957
3-methyl-4-(2-sulfanylethyl)oxolan-2-one
CID 170072101
3-methyl-4-prop-1-enyloxolan-2-one
CID 123677303
(3S,4R)-3-methyl-4-prop-1-en-2-yloxolan-2-one
CID 10582865
(3R,4R)-3-hydroxy-4-methyloxolan-2-one
CID 10953469
3,4-dimethyloxan-2-one
CID 13200721
(3S,4R,5S,6R)-5-ethyl-4,6-dihydroxy-3-methyloxepan-2-one
CID 57128049
4,7-dimethyl-1,4,4a,5,6,7,8,8a-octahydroisochromen-3-one
CID 121218919

Frequently Asked Questions

What is the IUPAC name of CID 167346588?
The IUPAC name of CID 167346588 (CID 167346588) is not available.
What is the SMILES notation for CID 167346588?
The canonical SMILES for CID 167346588 is CC1C(=O)OCC1[Si].
What is the InChIKey of CID 167346588?
The InChIKey is KUTYNAONRQVBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7O2Si/c1-3-4(8)2-7-5(3)6/h3-4H,2H2,1H3.
What are the key properties of CID 167346588?
CID 167346588 has a molecular weight of 127.19 g/mol, XLogP of 0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167346588 is sourced from PubChem (CID 167346588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).