CID 58182482

C8H14BO2 — CID 58182482

IUPAC—
SMILESCCOC(=O)C1(C)C[B]CC1
InChIInChI=1S/C8H14BO2/c1-3-11-7(10)8(2)4-5-9-6-8/h3-6H2,1-2H3
InChIKeyMBRIBNVSUWBASJ-UHFFFAOYSA-N
MW153.01 g/mol
LogP1.50
Rot. Bonds2

About CID 58182482

CID 58182482 (PubChem CID 58182482) has the molecular formula C8H14BO2 and a molecular weight of 153.01 g/mol.

Molecular Properties

Compound NameCID 58182482
PubChem CID58182482
Molecular FormulaC8H14BO2
Molecular Weight153.01 g/mol
Exact Mass153.11
IUPAC Name—
SMILESCCOC(=O)C1(C)C[B]CC1
InChIInChI=1S/C8H14BO2/c1-3-11-7(10)8(2)4-5-9-6-8/h3-6H2,1-2H3
InChIKeyMBRIBNVSUWBASJ-UHFFFAOYSA-N
XLogP1.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.01
LogP ≤ 51.50
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

ethyl 3-fluoro-1-methylcyclobutane-1-carboxylate
CID 89136662
ethane;ethyl 1-methylcyclohexane-1-carboxylate;methane
CID 142438427
ethyl 1,3-dimethylcyclopent-3-ene-1-carboxylate
CID 158121003
ethyl 3-methylpyrrolidine-3-carboxylate;hydrochloride
CID 71756654
ethyl (3S)-3-methylazepane-3-carboxylate
CID 124785367
ethyl 8-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate
CID 171935283
ethyl 1,4-dimethylcyclohexane-1-carboxylate;ethyl 4-hydroxy-1-methylcyclohexane-1-carboxylate
CID 159386259
ethyl (3R)-3-methylpiperidine-3-carboxylate;hydrochloride
CID 91828144
ethyl (2S)-2-methylpyrrolidine-2-carboxylate
CID 45115906
diethyl 1,2,3-trimethylcyclopentane-1,3-dicarboxylate
CID 143831911
ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate;ethyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 159011584
ethyl 4-ethyl-1-methylcycloheptane-1-carboxylate
CID 123793708

Frequently Asked Questions

What is the IUPAC name of CID 58182482?
The IUPAC name of CID 58182482 (CID 58182482) is not available.
What is the SMILES notation for CID 58182482?
The canonical SMILES for CID 58182482 is CCOC(=O)C1(C)C[B]CC1.
What is the InChIKey of CID 58182482?
The InChIKey is MBRIBNVSUWBASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BO2/c1-3-11-7(10)8(2)4-5-9-6-8/h3-6H2,1-2H3.
What are the key properties of CID 58182482?
CID 58182482 has a molecular weight of 153.01 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58182482 is sourced from PubChem (CID 58182482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).