bis(3-methylbutan-2-yl)-oct-1-enylborane

C18H37B — CID 54380013

IUPACbis(3-methylbutan-2-yl)-oct-1-enylborane
SMILESCCCCCCC=CB(C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C18H37B/c1-8-9-10-11-12-13-14-19(17(6)15(2)3)18(7)16(4)5/h13-18H,8-12H2,1-7H3
InChIKeyUZGBPDKVSUINRI-UHFFFAOYSA-N
MW264.31 g/mol
LogP6.64
Rot. Bonds10

About bis(3-methylbutan-2-yl)-oct-1-enylborane

bis(3-methylbutan-2-yl)-oct-1-enylborane (PubChem CID 54380013) has the molecular formula C18H37B and a molecular weight of 264.31 g/mol. Its IUPAC name is bis(3-methylbutan-2-yl)-oct-1-enylborane.

Molecular Properties

Compound Namebis(3-methylbutan-2-yl)-oct-1-enylborane
PubChem CID54380013
Molecular FormulaC18H37B
Molecular Weight264.31 g/mol
Exact Mass264.30
IUPAC Namebis(3-methylbutan-2-yl)-oct-1-enylborane
SMILESCCCCCCC=CB(C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C18H37B/c1-8-9-10-11-12-13-14-19(17(6)15(2)3)18(7)16(4)5/h13-18H,8-12H2,1-7H3
InChIKeyUZGBPDKVSUINRI-UHFFFAOYSA-N
XLogP6.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.31
LogP ≤ 56.64
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'}

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Related Compounds

(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(Z)-heptacos-11-ene
CID 56936074

Frequently Asked Questions

What is the IUPAC name of bis(3-methylbutan-2-yl)-oct-1-enylborane?
The IUPAC name of bis(3-methylbutan-2-yl)-oct-1-enylborane (CID 54380013) is bis(3-methylbutan-2-yl)-oct-1-enylborane.
What is the SMILES notation for bis(3-methylbutan-2-yl)-oct-1-enylborane?
The canonical SMILES for bis(3-methylbutan-2-yl)-oct-1-enylborane is CCCCCCC=CB(C(C)C(C)C)C(C)C(C)C.
What is the InChIKey of bis(3-methylbutan-2-yl)-oct-1-enylborane?
The InChIKey is UZGBPDKVSUINRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37B/c1-8-9-10-11-12-13-14-19(17(6)15(2)3)18(7)16(4)5/h13-18H,8-12H2,1-7H3.
What are the key properties of bis(3-methylbutan-2-yl)-oct-1-enylborane?
bis(3-methylbutan-2-yl)-oct-1-enylborane has a molecular weight of 264.31 g/mol, XLogP of 6.64, 10 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)-oct-1-enylborane is sourced from PubChem (CID 54380013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).