bis(3-methylbutan-2-yl)-[(Z)-pent-1-enyl]borane

C15H31B — CID 127258248

IUPACbis(3-methylbutan-2-yl)-[(Z)-pent-1-enyl]borane
SMILESCCC/C=C\B(C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C15H31B/c1-8-9-10-11-16(14(6)12(2)3)15(7)13(4)5/h10-15H,8-9H2,1-7H3/b11-10-
InChIKeyPWZVVPMHFRHZLD-KHPPLWFESA-N
MW222.22 g/mol
LogP5.47
Rot. Bonds7

About bis(3-methylbutan-2-yl)-[(Z)-pent-1-enyl]borane

bis(3-methylbutan-2-yl)-[(Z)-pent-1-enyl]borane (PubChem CID 127258248) has the molecular formula C15H31B and a molecular weight of 222.22 g/mol. Its IUPAC name is bis(3-methylbutan-2-yl)-[(Z)-pent-1-enyl]borane.

Molecular Properties

Compound Namebis(3-methylbutan-2-yl)-[(Z)-pent-1-enyl]borane
PubChem CID127258248
Molecular FormulaC15H31B
Molecular Weight222.22 g/mol
Exact Mass222.25
IUPAC Namebis(3-methylbutan-2-yl)-[(Z)-pent-1-enyl]borane
SMILESCCC/C=C\B(C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C15H31B/c1-8-9-10-11-16(14(6)12(2)3)15(7)13(4)5/h10-15H,8-9H2,1-7H3/b11-10-
InChIKeyPWZVVPMHFRHZLD-KHPPLWFESA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.22
LogP ≤ 55.47
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

4-Ethyl-1-hexene
CID 123365
3,5-Dimethyl-1-hexene
CID 522526
4-Methylpent-1-ene;prop-1-ene
CID 17829555
Ethylene 4-methyl-1-pentene
CID 86745194
4-Ethyl-1,6-heptadiene
CID 20191222
3,5-Dimethyl-1,6-heptadiene
CID 534949
(Z)-Diisobutyl(4-methylpent-1-enyl)aluminium
CID 16684065
Aluminum, ((1E)-4-methyl-1-pentenyl)bis(2-methylpropyl)-
CID 16684154
Aluminum, [(1E)-4-methyl-1-pentenyl]bis(2-methylpropyl)-
CID 57350980
Hex-1-ene;4-methylpent-1-ene
CID 21184921
1-Butene 4-methyl-1-pentene
CID 23001909
Ethene;3-methylpent-1-ene
CID 141008257

Frequently Asked Questions

What is the IUPAC name of bis(3-methylbutan-2-yl)-[(Z)-pent-1-enyl]borane?
The IUPAC name of bis(3-methylbutan-2-yl)-[(Z)-pent-1-enyl]borane (CID 127258248) is bis(3-methylbutan-2-yl)-[(Z)-pent-1-enyl]borane.
What is the SMILES notation for bis(3-methylbutan-2-yl)-[(Z)-pent-1-enyl]borane?
The canonical SMILES for bis(3-methylbutan-2-yl)-[(Z)-pent-1-enyl]borane is CCC/C=C\B(C(C)C(C)C)C(C)C(C)C.
What is the InChIKey of bis(3-methylbutan-2-yl)-[(Z)-pent-1-enyl]borane?
The InChIKey is PWZVVPMHFRHZLD-KHPPLWFESA-N. The full InChI is InChI=1S/C15H31B/c1-8-9-10-11-16(14(6)12(2)3)15(7)13(4)5/h10-15H,8-9H2,1-7H3/b11-10-.
What are the key properties of bis(3-methylbutan-2-yl)-[(Z)-pent-1-enyl]borane?
bis(3-methylbutan-2-yl)-[(Z)-pent-1-enyl]borane has a molecular weight of 222.22 g/mol, XLogP of 5.47, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methylbutan-2-yl)-[(Z)-pent-1-enyl]borane is sourced from PubChem (CID 127258248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).