2,4-dimethylpent-2-en-3-yl-di(propan-2-yl)borane

C13H27B — CID 20767005

IUPAC2,4-dimethylpent-2-en-3-yl-di(propan-2-yl)borane
SMILESCC(C)=C(B(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C13H27B/c1-9(2)13(10(3)4)14(11(5)6)12(7)8/h9,11-12H,1-8H3
InChIKeyDGYMRCGZXNNZGC-UHFFFAOYSA-N
MW194.17 g/mol
LogP4.83
Rot. Bonds4

About 2,4-dimethylpent-2-en-3-yl-di(propan-2-yl)borane

2,4-dimethylpent-2-en-3-yl-di(propan-2-yl)borane (PubChem CID 20767005) has the molecular formula C13H27B and a molecular weight of 194.17 g/mol. Its IUPAC name is 2,4-dimethylpent-2-en-3-yl-di(propan-2-yl)borane.

Molecular Properties

Compound Name2,4-dimethylpent-2-en-3-yl-di(propan-2-yl)borane
PubChem CID20767005
Molecular FormulaC13H27B
Molecular Weight194.17 g/mol
Exact Mass194.22
IUPAC Name2,4-dimethylpent-2-en-3-yl-di(propan-2-yl)borane
SMILESCC(C)=C(B(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C13H27B/c1-9(2)13(10(3)4)14(11(5)6)12(7)8/h9,11-12H,1-8H3
InChIKeyDGYMRCGZXNNZGC-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpent-2-en-3-yl-di(propan-2-yl)borane?
The IUPAC name of 2,4-dimethylpent-2-en-3-yl-di(propan-2-yl)borane (CID 20767005) is 2,4-dimethylpent-2-en-3-yl-di(propan-2-yl)borane.
What is the SMILES notation for 2,4-dimethylpent-2-en-3-yl-di(propan-2-yl)borane?
The canonical SMILES for 2,4-dimethylpent-2-en-3-yl-di(propan-2-yl)borane is CC(C)=C(B(C(C)C)C(C)C)C(C)C.
What is the InChIKey of 2,4-dimethylpent-2-en-3-yl-di(propan-2-yl)borane?
The InChIKey is DGYMRCGZXNNZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27B/c1-9(2)13(10(3)4)14(11(5)6)12(7)8/h9,11-12H,1-8H3.
What are the key properties of 2,4-dimethylpent-2-en-3-yl-di(propan-2-yl)borane?
2,4-dimethylpent-2-en-3-yl-di(propan-2-yl)borane has a molecular weight of 194.17 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpent-2-en-3-yl-di(propan-2-yl)borane is sourced from PubChem (CID 20767005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).