9-borabicyclo[3.3.1]nonan-9-yl methyl carbonate

C10H17BO3 — CID 132555879

IUPAC9-borabicyclo[3.3.1]nonan-9-yl methyl carbonate
SMILESCOC(=O)OB1C2CCCC1CCC2
InChIInChI=1S/C10H17BO3/c1-13-10(12)14-11-8-4-2-5-9(11)7-3-6-8/h8-9H,2-7H2,1H3
InChIKeyLUVSRLXUXMZWRM-UHFFFAOYSA-N
MW196.05 g/mol
LogP2.87
Rot. Bonds1

About 9-borabicyclo[3.3.1]nonan-9-yl methyl carbonate

9-borabicyclo[3.3.1]nonan-9-yl methyl carbonate (PubChem CID 132555879) has the molecular formula C10H17BO3 and a molecular weight of 196.05 g/mol. Its IUPAC name is 9-borabicyclo[3.3.1]nonan-9-yl methyl carbonate.

Molecular Properties

Compound Name9-borabicyclo[3.3.1]nonan-9-yl methyl carbonate
PubChem CID132555879
Molecular FormulaC10H17BO3
Molecular Weight196.05 g/mol
Exact Mass196.13
IUPAC Name9-borabicyclo[3.3.1]nonan-9-yl methyl carbonate
SMILESCOC(=O)OB1C2CCCC1CCC2
InChIInChI=1S/C10H17BO3/c1-13-10(12)14-11-8-4-2-5-9(11)7-3-6-8/h8-9H,2-7H2,1H3
InChIKeyLUVSRLXUXMZWRM-UHFFFAOYSA-N
XLogP2.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.05
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-borabicyclo[3.3.1]nonan-9-yl (2S)-2-aminopropanoate
CID 14019573
methyl (E)-3-cyclobutylbut-2-enoate
CID 89095849
methyl (2S)-2-cyclobutyloxypropanoate
CID 103337973
1-cyclobutyl-3-methoxybutan-2-one
CID 79616644
methyl 5-(9-borabicyclo[3.3.1]nonan-9-yl)pentanoate
CID 101226405
cyclohexyl (4-methoxycarbonyloxycyclohexyl) carbonate
CID 23066096
dimethyl carbonate;[2-(hydroxymethyl)cyclohexyl]methanol
CID 163689095
methyl 2-methylcyclopentane-1-carboxylate
CID 13435361
methyl cyclobutanecarboxylate;hydrate
CID 175300594
dimethyl cycloheptane-1,4-dicarboxylate
CID 139878536
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methoxypropan-1-one
CID 103715028
dimethyl carbonate;ethane
CID 160632176

Frequently Asked Questions

What is the IUPAC name of 9-borabicyclo[3.3.1]nonan-9-yl methyl carbonate?
The IUPAC name of 9-borabicyclo[3.3.1]nonan-9-yl methyl carbonate (CID 132555879) is 9-borabicyclo[3.3.1]nonan-9-yl methyl carbonate.
What is the SMILES notation for 9-borabicyclo[3.3.1]nonan-9-yl methyl carbonate?
The canonical SMILES for 9-borabicyclo[3.3.1]nonan-9-yl methyl carbonate is COC(=O)OB1C2CCCC1CCC2.
What is the InChIKey of 9-borabicyclo[3.3.1]nonan-9-yl methyl carbonate?
The InChIKey is LUVSRLXUXMZWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BO3/c1-13-10(12)14-11-8-4-2-5-9(11)7-3-6-8/h8-9H,2-7H2,1H3.
What are the key properties of 9-borabicyclo[3.3.1]nonan-9-yl methyl carbonate?
9-borabicyclo[3.3.1]nonan-9-yl methyl carbonate has a molecular weight of 196.05 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-borabicyclo[3.3.1]nonan-9-yl methyl carbonate is sourced from PubChem (CID 132555879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).