CID 67377310

C3H5B3O3 — CID 67377310

IUPAC—
SMILESC=CCB1O[B]O[B]O1
InChIInChI=1S/C3H5B3O3/c1-2-3-6-8-4-7-5-9-6/h2H,1,3H2
InChIKeyAWSKQMAOMJMLIB-UHFFFAOYSA-N
MW121.51 g/mol
LogP-0.21
Rot. Bonds2

About CID 67377310

CID 67377310 (PubChem CID 67377310) has the molecular formula C3H5B3O3 and a molecular weight of 121.51 g/mol.

Molecular Properties

Compound NameCID 67377310
PubChem CID67377310
Molecular FormulaC3H5B3O3
Molecular Weight121.51 g/mol
Exact Mass122.05
IUPAC Name—
SMILESC=CCB1O[B]O[B]O1
InChIInChI=1S/C3H5B3O3/c1-2-3-6-8-4-7-5-9-6/h2H,1,3H2
InChIKeyAWSKQMAOMJMLIB-UHFFFAOYSA-N
XLogP-0.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.51
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-tris(prop-2-enyl)-1,3,5,2,4,6-trioxatriborinane
CID 68763773
2-prop-2-enyl-1,3,2-dioxaborolane
CID 12566599
2-prop-2-enyl-1,3,2-dioxaborolane-4,5-dicarboxylic acid
CID 18924030
(4S,5S)-2-prop-2-enyl-1,3,2-dioxaborolane-4,5-dicarboxylic acid
CID 100956704
3,3,4,4-tetramethyl-1-prop-2-enylborolane
CID 162772538
bis(2,4-dimethylpentan-3-yl) (4R,5R)-2-prop-2-enyl-1,3,2-dioxaborolane-4,5-dicarboxylate
CID 11223197
3-prop-2-enyl-1,5,3-dioxazepane
CID 15582181
iron;pentakis(tris(prop-2-enoxy)phosphanium)
CID 88840640
CID 19809750
CID 19809750
4,5-bis(prop-2-enyl)-1,3,5-dioxaborinane
CID 66667932
3-prop-2-enyl-2H-1,3-oxazole
CID 66809842
benzaldehyde;1-phenylbut-3-en-1-ol;4,4,5,5-tetramethyl-2-prop-2-enyl-1,3,2-dioxaborolane
CID 160630591

Frequently Asked Questions

What is the IUPAC name of CID 67377310?
The IUPAC name of CID 67377310 (CID 67377310) is not available.
What is the SMILES notation for CID 67377310?
The canonical SMILES for CID 67377310 is C=CCB1O[B]O[B]O1.
What is the InChIKey of CID 67377310?
The InChIKey is AWSKQMAOMJMLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5B3O3/c1-2-3-6-8-4-7-5-9-6/h2H,1,3H2.
What are the key properties of CID 67377310?
CID 67377310 has a molecular weight of 121.51 g/mol, XLogP of -0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67377310 is sourced from PubChem (CID 67377310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).