2,3-dimethylbutan-2-yl-bis(4-methylpent-3-enyl)borane

C18H35B — CID 134890689

IUPAC2,3-dimethylbutan-2-yl-bis(4-methylpent-3-enyl)borane
SMILESCC(C)=CCCB(CCC=C(C)C)C(C)(C)C(C)C
InChIInChI=1S/C18H35B/c1-15(2)11-9-13-19(14-10-12-16(3)4)18(7,8)17(5)6/h11-12,17H,9-10,13-14H2,1-8H3
InChIKeySJAPZFRSJJOIES-UHFFFAOYSA-N
MW262.29 g/mol
LogP6.63
Rot. Bonds8

About 2,3-dimethylbutan-2-yl-bis(4-methylpent-3-enyl)borane

2,3-dimethylbutan-2-yl-bis(4-methylpent-3-enyl)borane (PubChem CID 134890689) has the molecular formula C18H35B and a molecular weight of 262.29 g/mol. Its IUPAC name is 2,3-dimethylbutan-2-yl-bis(4-methylpent-3-enyl)borane.

Molecular Properties

Compound Name2,3-dimethylbutan-2-yl-bis(4-methylpent-3-enyl)borane
PubChem CID134890689
Molecular FormulaC18H35B
Molecular Weight262.29 g/mol
Exact Mass262.28
IUPAC Name2,3-dimethylbutan-2-yl-bis(4-methylpent-3-enyl)borane
SMILESCC(C)=CCCB(CCC=C(C)C)C(C)(C)C(C)C
InChIInChI=1S/C18H35B/c1-15(2)11-9-13-19(14-10-12-16(3)4)18(7,8)17(5)6/h11-12,17H,9-10,13-14H2,1-8H3
InChIKeySJAPZFRSJJOIES-UHFFFAOYSA-N
XLogP6.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.29
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,3-dimethylbutan-2-yl-bis(4-methylpent-3-enyl)borane 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

Di(1-isopropyl-3-methylbut-2-enyl)borane
CID 11310858
2,4-Dimethylpent-2-en-3-yl-bis(3-methylbutan-2-yl)borane
CID 12498152
2,4-Dimethylpent-3-en-2-yl-bis(3-methylbutan-2-yl)borane
CID 12498153
bis(1,2-dimethylpropyl)[(1Z)-1-ethyl-1-butenyl]borane
CID 15680552
Bis(3-methylbutan-2-yl)-(7-methyl-3-methylideneoct-6-enyl)borane
CID 86231855
[(3E)-4,8-dimethylnona-3,7-dienyl]-bis(3-methylbutan-2-yl)borane
CID 134881357
[(Z)-4,4-dimethylpent-2-en-2-yl]-bis(3-methylbutan-2-yl)borane
CID 134903630
[(Z)-hex-2-en-2-yl]-bis(3-methylbutan-2-yl)borane
CID 134903631
bis(3-methylbutan-2-yl)-[(Z)-2,2,5-trimethylhex-3-en-3-yl]borane
CID 134903656
bis(3-methylbutan-2-yl)-[(Z)-4-methylpent-2-en-3-yl]borane
CID 134903720
bis(3-methylbutan-2-yl)-[(Z)-4-methylpent-2-en-2-yl]borane
CID 134903721
3,3-dimethylbutan-2-yl-[(Z)-2,5-dimethylhex-3-en-3-yl]-(3-methylbutan-2-yl)borane
CID 134903763

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutan-2-yl-bis(4-methylpent-3-enyl)borane?
The IUPAC name of 2,3-dimethylbutan-2-yl-bis(4-methylpent-3-enyl)borane (CID 134890689) is 2,3-dimethylbutan-2-yl-bis(4-methylpent-3-enyl)borane.
What is the SMILES notation for 2,3-dimethylbutan-2-yl-bis(4-methylpent-3-enyl)borane?
The canonical SMILES for 2,3-dimethylbutan-2-yl-bis(4-methylpent-3-enyl)borane is CC(C)=CCCB(CCC=C(C)C)C(C)(C)C(C)C.
What is the InChIKey of 2,3-dimethylbutan-2-yl-bis(4-methylpent-3-enyl)borane?
The InChIKey is SJAPZFRSJJOIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35B/c1-15(2)11-9-13-19(14-10-12-16(3)4)18(7,8)17(5)6/h11-12,17H,9-10,13-14H2,1-8H3.
What are the key properties of 2,3-dimethylbutan-2-yl-bis(4-methylpent-3-enyl)borane?
2,3-dimethylbutan-2-yl-bis(4-methylpent-3-enyl)borane has a molecular weight of 262.29 g/mol, XLogP of 6.63, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutan-2-yl-bis(4-methylpent-3-enyl)borane is sourced from PubChem (CID 134890689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).