1-hydroxy-4-(1-methoxyborolan-3-yl)borinane

C10H20B2O2 — CID 145409927

IUPAC1-hydroxy-4-(1-methoxyborolan-3-yl)borinane
SMILESCOB1CCC(C2CCB(O)CC2)C1
InChIInChI=1S/C10H20B2O2/c1-14-12-7-4-10(8-12)9-2-5-11(13)6-3-9/h9-10,13H,2-8H2,1H3
InChIKeyMJTYZOKTEOAFEK-UHFFFAOYSA-N
MW193.89 g/mol
LogP2.04
Rot. Bonds2

About 1-hydroxy-4-(1-methoxyborolan-3-yl)borinane

1-hydroxy-4-(1-methoxyborolan-3-yl)borinane (PubChem CID 145409927) has the molecular formula C10H20B2O2 and a molecular weight of 193.89 g/mol. Its IUPAC name is 1-hydroxy-4-(1-methoxyborolan-3-yl)borinane.

Molecular Properties

Compound Name1-hydroxy-4-(1-methoxyborolan-3-yl)borinane
PubChem CID145409927
Molecular FormulaC10H20B2O2
Molecular Weight193.89 g/mol
Exact Mass194.16
IUPAC Name1-hydroxy-4-(1-methoxyborolan-3-yl)borinane
SMILESCOB1CCC(C2CCB(O)CC2)C1
InChIInChI=1S/C10H20B2O2/c1-14-12-7-4-10(8-12)9-2-5-11(13)6-3-9/h9-10,13H,2-8H2,1H3
InChIKeyMJTYZOKTEOAFEK-UHFFFAOYSA-N
XLogP2.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.89
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-1,3,3a,4,5,6,7,7a-octahydrobenzo[c]borole
CID 140592134
1-methoxyborolan-3-amine
CID 145409930
3-methoxy-7-(methoxymethyl)-3-borabicyclo[3.3.1]nonane
CID 12589558
[4-(4-methoxycyclohexyl)cyclohexyl] hypoiodite
CID 139555769
bicyclo[2.2.0]hexane
CID 158697132
bicyclo[2.2.0]hexane;ethanol
CID 66985462
bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);tetrakis(1,2,3,3a,4,5,6,6a-octahydropentalene);hexakis(2-methylpropane)
CID 161375940
methyl N-(4-chloropiperidin-1-yl)sulfonylcarbamate
CID 114466190
methyl 2-(4-cyclohexylcyclohexylidene)acetate
CID 118992205
[(E)-1-methoxyprop-1-en-2-yl]cyclopropane
CID 3032918
methyl 4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane-1-carboxylate
CID 54244189
2-hydroperoxy-7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 172615307

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-(1-methoxyborolan-3-yl)borinane?
The IUPAC name of 1-hydroxy-4-(1-methoxyborolan-3-yl)borinane (CID 145409927) is 1-hydroxy-4-(1-methoxyborolan-3-yl)borinane.
What is the SMILES notation for 1-hydroxy-4-(1-methoxyborolan-3-yl)borinane?
The canonical SMILES for 1-hydroxy-4-(1-methoxyborolan-3-yl)borinane is COB1CCC(C2CCB(O)CC2)C1.
What is the InChIKey of 1-hydroxy-4-(1-methoxyborolan-3-yl)borinane?
The InChIKey is MJTYZOKTEOAFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20B2O2/c1-14-12-7-4-10(8-12)9-2-5-11(13)6-3-9/h9-10,13H,2-8H2,1H3.
What are the key properties of 1-hydroxy-4-(1-methoxyborolan-3-yl)borinane?
1-hydroxy-4-(1-methoxyborolan-3-yl)borinane has a molecular weight of 193.89 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-(1-methoxyborolan-3-yl)borinane is sourced from PubChem (CID 145409927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).