1H-inden-2-yl-di(propan-2-yloxy)borane

C15H21BO2 — CID 132552358

IUPAC1H-inden-2-yl-di(propan-2-yloxy)borane
SMILESCC(C)OB(OC(C)C)C1=Cc2ccccc2C1
InChIInChI=1S/C15H21BO2/c1-11(2)17-16(18-12(3)4)15-9-13-7-5-6-8-14(13)10-15/h5-9,11-12H,10H2,1-4H3
InChIKeyJNIPQUDHEMFVKM-UHFFFAOYSA-N
MW244.14 g/mol
LogP3.50
Rot. Bonds5

About 1H-inden-2-yl-di(propan-2-yloxy)borane

1H-inden-2-yl-di(propan-2-yloxy)borane (PubChem CID 132552358) has the molecular formula C15H21BO2 and a molecular weight of 244.14 g/mol. Its IUPAC name is 1H-inden-2-yl-di(propan-2-yloxy)borane.

Molecular Properties

Compound Name1H-inden-2-yl-di(propan-2-yloxy)borane
PubChem CID132552358
Molecular FormulaC15H21BO2
Molecular Weight244.14 g/mol
Exact Mass244.16
IUPAC Name1H-inden-2-yl-di(propan-2-yloxy)borane
SMILESCC(C)OB(OC(C)C)C1=Cc2ccccc2C1
InChIInChI=1S/C15H21BO2/c1-11(2)17-16(18-12(3)4)15-9-13-7-5-6-8-14(13)10-15/h5-9,11-12H,10H2,1-4H3
InChIKeyJNIPQUDHEMFVKM-UHFFFAOYSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.14
LogP ≤ 53.50
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

1H-inden-2-ylboronic acid
CID 10942739
dichloro(1H-inden-2-yl)borane
CID 23148935
(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(1H-inden-2-yl)borinic acid
CID 91828082
ethane;2-methyl-1H-indene
CID 54388135
dilithium;hydride;2-methyl-1H-indene
CID 174389256
2-methyl-1H-indene;titanium(3+);trichloride
CID 157408587
2-propan-2-yl-1H-indene;toluene
CID 161490529
N-propan-2-yl-1H-indene-2-carboxamide
CID 141124355
2-[amino(dimethyl)silyl]oxy-1H-indene
CID 139936954
CID 143131255
CID 143131255
2-methylselanyl-1H-indene
CID 11041997
1H-inden-2-ylsilane
CID 137327560

Frequently Asked Questions

What is the IUPAC name of 1H-inden-2-yl-di(propan-2-yloxy)borane?
The IUPAC name of 1H-inden-2-yl-di(propan-2-yloxy)borane (CID 132552358) is 1H-inden-2-yl-di(propan-2-yloxy)borane.
What is the SMILES notation for 1H-inden-2-yl-di(propan-2-yloxy)borane?
The canonical SMILES for 1H-inden-2-yl-di(propan-2-yloxy)borane is CC(C)OB(OC(C)C)C1=Cc2ccccc2C1.
What is the InChIKey of 1H-inden-2-yl-di(propan-2-yloxy)borane?
The InChIKey is JNIPQUDHEMFVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BO2/c1-11(2)17-16(18-12(3)4)15-9-13-7-5-6-8-14(13)10-15/h5-9,11-12H,10H2,1-4H3.
What are the key properties of 1H-inden-2-yl-di(propan-2-yloxy)borane?
1H-inden-2-yl-di(propan-2-yloxy)borane has a molecular weight of 244.14 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-inden-2-yl-di(propan-2-yloxy)borane is sourced from PubChem (CID 132552358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).