triethyl(hex-1-ynyl)boranuide

C12H24B- — CID 13486541

IUPACtriethyl(hex-1-ynyl)boranuide
SMILESCCCCC#C[B-](CC)(CC)CC
InChIInChI=1S/C12H24B/c1-5-9-10-11-12-13(6-2,7-3)8-4/h5-10H2,1-4H3/q-1
InChIKeyAQOQDULEOXQLDV-UHFFFAOYSA-N
MW179.14 g/mol
LogP4.23
Rot. Bonds5

About triethyl(hex-1-ynyl)boranuide

triethyl(hex-1-ynyl)boranuide (PubChem CID 13486541) has the molecular formula C12H24B- and a molecular weight of 179.14 g/mol. Its IUPAC name is triethyl(hex-1-ynyl)boranuide.

Molecular Properties

Compound Nametriethyl(hex-1-ynyl)boranuide
PubChem CID13486541
Molecular FormulaC12H24B-
Molecular Weight179.14 g/mol
Exact Mass179.20
IUPAC Nametriethyl(hex-1-ynyl)boranuide
SMILESCCCCC#C[B-](CC)(CC)CC
InChIInChI=1S/C12H24B/c1-5-9-10-11-12-13(6-2,7-3)8-4/h5-10H2,1-4H3/q-1
InChIKeyAQOQDULEOXQLDV-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze triethyl(hex-1-ynyl)boranuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium tributyl(oct-1-ynyl)boranuide
CID 135048224
pentadeca-5,10-diyne
CID 15530767
CID 90985110
CID 90985110
tetradeca-4,9-diyne
CID 173328648
lithium hex-1-ynyl-tri(propan-2-yloxy)boranuide
CID 23709649
triethyl(3-methoxyprop-1-ynyl)boranuide
CID 134890673
(Hex-1-yn-1-yl)silane
CID 13112953
methane;bis(oct-3-yne)
CID 159540057
cobalt;hept-2-yne
CID 174831630
1-fluorohex-1-yne
CID 87549340
hex-1-yn-1-amine
CID 15451863
henicos-8-yne
CID 22224321

Frequently Asked Questions

What is the IUPAC name of triethyl(hex-1-ynyl)boranuide?
The IUPAC name of triethyl(hex-1-ynyl)boranuide (CID 13486541) is triethyl(hex-1-ynyl)boranuide.
What is the SMILES notation for triethyl(hex-1-ynyl)boranuide?
The canonical SMILES for triethyl(hex-1-ynyl)boranuide is CCCCC#C[B-](CC)(CC)CC.
What is the InChIKey of triethyl(hex-1-ynyl)boranuide?
The InChIKey is AQOQDULEOXQLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24B/c1-5-9-10-11-12-13(6-2,7-3)8-4/h5-10H2,1-4H3/q-1.
What are the key properties of triethyl(hex-1-ynyl)boranuide?
triethyl(hex-1-ynyl)boranuide has a molecular weight of 179.14 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(hex-1-ynyl)boranuide is sourced from PubChem (CID 13486541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).