[(4E)-2-methylnona-1,4-dien-4-yl]-di(propan-2-yloxy)borane

C16H31BO2 — CID 134897628

IUPAC[(4E)-2-methylnona-1,4-dien-4-yl]-di(propan-2-yloxy)borane
SMILESC=C(C)C/C(=C/CCCC)B(OC(C)C)OC(C)C
InChIInChI=1S/C16H31BO2/c1-8-9-10-11-16(12-13(2)3)17(18-14(4)5)19-15(6)7/h11,14-15H,2,8-10,12H2,1,3-7H3/b16-11-
InChIKeyGKHITPCCSUFZGC-WJDWOHSUSA-N
MW266.23 g/mol
LogP4.95
Rot. Bonds10

About [(4E)-2-methylnona-1,4-dien-4-yl]-di(propan-2-yloxy)borane

[(4E)-2-methylnona-1,4-dien-4-yl]-di(propan-2-yloxy)borane (PubChem CID 134897628) has the molecular formula C16H31BO2 and a molecular weight of 266.23 g/mol. Its IUPAC name is [(4E)-2-methylnona-1,4-dien-4-yl]-di(propan-2-yloxy)borane.

Molecular Properties

Compound Name[(4E)-2-methylnona-1,4-dien-4-yl]-di(propan-2-yloxy)borane
PubChem CID134897628
Molecular FormulaC16H31BO2
Molecular Weight266.23 g/mol
Exact Mass266.24
IUPAC Name[(4E)-2-methylnona-1,4-dien-4-yl]-di(propan-2-yloxy)borane
SMILESC=C(C)C/C(=C/CCCC)B(OC(C)C)OC(C)C
InChIInChI=1S/C16H31BO2/c1-8-9-10-11-16(12-13(2)3)17(18-14(4)5)19-15(6)7/h11,14-15H,2,8-10,12H2,1,3-7H3/b16-11-
InChIKeyGKHITPCCSUFZGC-WJDWOHSUSA-N
XLogP4.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-methoxyhept-2-ene
CID 21160203
2,3,4-trimethyldeca-1,4-diene
CID 123573024
(Z)-N,2-di(propan-2-yl)hept-2-en-1-amine
CID 139548782
hex-1-ene;2-methylbut-1-ene
CID 172686626
(Z)-N-methylhept-2-en-2-amine
CID 90448408
bis(3-methylbutan-2-yl)-[(Z)-non-4-en-5-yl]borane
CID 134904065
(Z)-N-(methylideneamino)hept-2-en-2-amine
CID 134535297
N-(4-methylpenta-1,4-dien-2-yl)hexan-2-amine
CID 142109813
2,4,5-trimethyldec-5-ene
CID 123184332
methyl (E)-2-methylhept-2-enoate
CID 13122847
2-methylundeca-1,6-diene
CID 173154459
4-methylnona-2,4-diene
CID 123785331

Frequently Asked Questions

What is the IUPAC name of [(4E)-2-methylnona-1,4-dien-4-yl]-di(propan-2-yloxy)borane?
The IUPAC name of [(4E)-2-methylnona-1,4-dien-4-yl]-di(propan-2-yloxy)borane (CID 134897628) is [(4E)-2-methylnona-1,4-dien-4-yl]-di(propan-2-yloxy)borane.
What is the SMILES notation for [(4E)-2-methylnona-1,4-dien-4-yl]-di(propan-2-yloxy)borane?
The canonical SMILES for [(4E)-2-methylnona-1,4-dien-4-yl]-di(propan-2-yloxy)borane is C=C(C)C/C(=C/CCCC)B(OC(C)C)OC(C)C.
What is the InChIKey of [(4E)-2-methylnona-1,4-dien-4-yl]-di(propan-2-yloxy)borane?
The InChIKey is GKHITPCCSUFZGC-WJDWOHSUSA-N. The full InChI is InChI=1S/C16H31BO2/c1-8-9-10-11-16(12-13(2)3)17(18-14(4)5)19-15(6)7/h11,14-15H,2,8-10,12H2,1,3-7H3/b16-11-.
What are the key properties of [(4E)-2-methylnona-1,4-dien-4-yl]-di(propan-2-yloxy)borane?
[(4E)-2-methylnona-1,4-dien-4-yl]-di(propan-2-yloxy)borane has a molecular weight of 266.23 g/mol, XLogP of 4.95, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E)-2-methylnona-1,4-dien-4-yl]-di(propan-2-yloxy)borane is sourced from PubChem (CID 134897628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).