3-phenylprop-2-ynyl-di(propan-2-yloxy)borane

C15H21BO2 — CID 11010173

IUPAC3-phenylprop-2-ynyl-di(propan-2-yloxy)borane
SMILESCC(C)OB(CC#Cc1ccccc1)OC(C)C
InChIInChI=1S/C15H21BO2/c1-13(2)17-16(18-14(3)4)12-8-11-15-9-6-5-7-10-15/h5-7,9-10,13-14H,12H2,1-4H3
InChIKeyLDEPJNGBARTCGL-UHFFFAOYSA-N
MW244.14 g/mol
LogP3.38
Rot. Bonds5

About 3-phenylprop-2-ynyl-di(propan-2-yloxy)borane

3-phenylprop-2-ynyl-di(propan-2-yloxy)borane (PubChem CID 11010173) has the molecular formula C15H21BO2 and a molecular weight of 244.14 g/mol. Its IUPAC name is 3-phenylprop-2-ynyl-di(propan-2-yloxy)borane.

Molecular Properties

Compound Name3-phenylprop-2-ynyl-di(propan-2-yloxy)borane
PubChem CID11010173
Molecular FormulaC15H21BO2
Molecular Weight244.14 g/mol
Exact Mass244.16
IUPAC Name3-phenylprop-2-ynyl-di(propan-2-yloxy)borane
SMILESCC(C)OB(CC#Cc1ccccc1)OC(C)C
InChIInChI=1S/C15H21BO2/c1-13(2)17-16(18-14(3)4)12-8-11-15-9-6-5-7-10-15/h5-7,9-10,13-14H,12H2,1-4H3
InChIKeyLDEPJNGBARTCGL-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methylpent-1-ynylbenzene
CID 12861410
3-(2-methylpropoxy)prop-1-ynylbenzene
CID 130395196
N-(3-phenylprop-2-ynyl)-4-propan-2-yloxyaniline
CID 62340189
N-[2-(3-phenylprop-2-ynoxy)ethyl]propan-2-amine
CID 62341837
(2S)-6-phenylhex-5-yn-2-amine
CID 71351501
3-but-3-en-2-yloxyprop-1-ynylbenzene
CID 11412798
3-(3-phenylprop-2-ynylsulfanyl)butan-2-ol
CID 103520071
2-phenylethynyl-tri(propan-2-yloxy)silane
CID 18410636
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylprop-2-yn-1-amine
CID 81347915
N-[(1R)-1-(4-bromophenyl)ethyl]-3-phenylprop-2-yn-1-amine
CID 81360187
N-[1-(4-chlorophenyl)ethyl]-3-phenylprop-2-yn-1-amine
CID 62340706
7-phenylhept-6-yn-2-one
CID 11084575

Frequently Asked Questions

What is the IUPAC name of 3-phenylprop-2-ynyl-di(propan-2-yloxy)borane?
The IUPAC name of 3-phenylprop-2-ynyl-di(propan-2-yloxy)borane (CID 11010173) is 3-phenylprop-2-ynyl-di(propan-2-yloxy)borane.
What is the SMILES notation for 3-phenylprop-2-ynyl-di(propan-2-yloxy)borane?
The canonical SMILES for 3-phenylprop-2-ynyl-di(propan-2-yloxy)borane is CC(C)OB(CC#Cc1ccccc1)OC(C)C.
What is the InChIKey of 3-phenylprop-2-ynyl-di(propan-2-yloxy)borane?
The InChIKey is LDEPJNGBARTCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BO2/c1-13(2)17-16(18-14(3)4)12-8-11-15-9-6-5-7-10-15/h5-7,9-10,13-14H,12H2,1-4H3.
What are the key properties of 3-phenylprop-2-ynyl-di(propan-2-yloxy)borane?
3-phenylprop-2-ynyl-di(propan-2-yloxy)borane has a molecular weight of 244.14 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylprop-2-ynyl-di(propan-2-yloxy)borane is sourced from PubChem (CID 11010173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).