CID 57115725

C5H11BO3 — CID 57115725

IUPAC—
SMILES[B]CC(OC)(OC)OC
InChIInChI=1S/C5H11BO3/c1-7-5(4-6,8-2)9-3/h4H2,1-3H3
InChIKeyMEYZJPXMPWFJHN-UHFFFAOYSA-N
MW129.95 g/mol
LogP0.17
Rot. Bonds4

About CID 57115725

CID 57115725 (PubChem CID 57115725) has the molecular formula C5H11BO3 and a molecular weight of 129.95 g/mol.

Molecular Properties

Compound NameCID 57115725
PubChem CID57115725
Molecular FormulaC5H11BO3
Molecular Weight129.95 g/mol
Exact Mass130.08
IUPAC Name—
SMILES[B]CC(OC)(OC)OC
InChIInChI=1S/C5H11BO3/c1-7-5(4-6,8-2)9-3/h4H2,1-3H3
InChIKeyMEYZJPXMPWFJHN-UHFFFAOYSA-N
XLogP0.17
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.95
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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1,1,1,23,23,23-hexamethoxytricosane
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1,1,1-trimethoxy-3,3-dimethylbutane
CID 63890888
2,2,2-trimethoxyethanol;zirconium
CID 87320991
1,1,1,27,27,27-hexamethoxyheptacosane
CID 150189125
1,1,1,25,25,25-hexamethoxypentacosane
CID 151063523
1,1,1,3-tetramethoxypropane
CID 10920853
1,1,2-trimethoxyethoxysilane
CID 173008155
CID 20657779
CID 20657779
1,1,1-trimethoxytridecane
CID 102481821
3,3,3-trimethoxy-N-silylpropan-1-amine
CID 123493079
1-(2,2,2-trimethoxyethoxy)ethanol
CID 160554155

Frequently Asked Questions

What is the IUPAC name of CID 57115725?
The IUPAC name of CID 57115725 (CID 57115725) is not available.
What is the SMILES notation for CID 57115725?
The canonical SMILES for CID 57115725 is [B]CC(OC)(OC)OC.
What is the InChIKey of CID 57115725?
The InChIKey is MEYZJPXMPWFJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BO3/c1-7-5(4-6,8-2)9-3/h4H2,1-3H3.
What are the key properties of CID 57115725?
CID 57115725 has a molecular weight of 129.95 g/mol, XLogP of 0.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57115725 is sourced from PubChem (CID 57115725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).