dimethyl-[(E)-4-methylhex-2-en-2-yl]borane

C9H19B — CID 134898107

IUPACdimethyl-[(E)-4-methylhex-2-en-2-yl]borane
SMILESCCC(C)/C=C(/C)B(C)C
InChIInChI=1S/C9H19B/c1-6-8(2)7-9(3)10(4)5/h7-8H,6H2,1-5H3/b9-7-
InChIKeyYCAGYRKJIQRITL-CLFYSBASSA-N
MW138.06 g/mol
LogP3.27
Rot. Bonds3

About dimethyl-[(E)-4-methylhex-2-en-2-yl]borane

dimethyl-[(E)-4-methylhex-2-en-2-yl]borane (PubChem CID 134898107) has the molecular formula C9H19B and a molecular weight of 138.06 g/mol. Its IUPAC name is dimethyl-[(E)-4-methylhex-2-en-2-yl]borane.

Molecular Properties

Compound Namedimethyl-[(E)-4-methylhex-2-en-2-yl]borane
PubChem CID134898107
Molecular FormulaC9H19B
Molecular Weight138.06 g/mol
Exact Mass138.16
IUPAC Namedimethyl-[(E)-4-methylhex-2-en-2-yl]borane
SMILESCCC(C)/C=C(/C)B(C)C
InChIInChI=1S/C9H19B/c1-6-8(2)7-9(3)10(4)5/h7-8H,6H2,1-5H3/b9-7-
InChIKeyYCAGYRKJIQRITL-CLFYSBASSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.06
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-3-heptene, (3E)-
CID 5357255
2-Hexene, 2,5-dimethyl-
CID 18853
3,5-Dimethyl-3-heptene
CID 5364776
5-Methyl-3-heptene (cis-and trans-mixture)
CID 5462826
Santolina triene
CID 519872
2,6-Dimethyl-3-heptene
CID 102326
3,5-Dimethyl-3-heptene (cis-and trans-mixture)
CID 521894
(Z)-4,5-Dimethylhex-2-ene
CID 6430915
2,4-Dimethyl-2-hexene
CID 518909
2,3-Dimethyl-3-hexene
CID 5357262
3-Heptene, 2,6-dimethyl-
CID 5364654
4-Methyl-1,5-Heptadiene
CID 5365804

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(E)-4-methylhex-2-en-2-yl]borane?
The IUPAC name of dimethyl-[(E)-4-methylhex-2-en-2-yl]borane (CID 134898107) is dimethyl-[(E)-4-methylhex-2-en-2-yl]borane.
What is the SMILES notation for dimethyl-[(E)-4-methylhex-2-en-2-yl]borane?
The canonical SMILES for dimethyl-[(E)-4-methylhex-2-en-2-yl]borane is CCC(C)/C=C(/C)B(C)C.
What is the InChIKey of dimethyl-[(E)-4-methylhex-2-en-2-yl]borane?
The InChIKey is YCAGYRKJIQRITL-CLFYSBASSA-N. The full InChI is InChI=1S/C9H19B/c1-6-8(2)7-9(3)10(4)5/h7-8H,6H2,1-5H3/b9-7-.
What are the key properties of dimethyl-[(E)-4-methylhex-2-en-2-yl]borane?
dimethyl-[(E)-4-methylhex-2-en-2-yl]borane has a molecular weight of 138.06 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(E)-4-methylhex-2-en-2-yl]borane is sourced from PubChem (CID 134898107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).