dibutoxy(cyclopenta-2,4-dien-1-yl)borane

C13H23BO2 — CID 101333486

IUPACdibutoxy(cyclopenta-2,4-dien-1-yl)borane
SMILESCCCCOB(OCCCC)C1C=CC=C1
InChIInChI=1S/C13H23BO2/c1-3-5-11-15-14(16-12-6-4-2)13-9-7-8-10-13/h7-10,13H,3-6,11-12H2,1-2H3
InChIKeyMAHCTDIMYUPQMJ-UHFFFAOYSA-N
MW222.14 g/mol
LogP3.60
Rot. Bonds9

About dibutoxy(cyclopenta-2,4-dien-1-yl)borane

dibutoxy(cyclopenta-2,4-dien-1-yl)borane (PubChem CID 101333486) has the molecular formula C13H23BO2 and a molecular weight of 222.14 g/mol. Its IUPAC name is dibutoxy(cyclopenta-2,4-dien-1-yl)borane.

Molecular Properties

Compound Namedibutoxy(cyclopenta-2,4-dien-1-yl)borane
PubChem CID101333486
Molecular FormulaC13H23BO2
Molecular Weight222.14 g/mol
Exact Mass222.18
IUPAC Namedibutoxy(cyclopenta-2,4-dien-1-yl)borane
SMILESCCCCOB(OCCCC)C1C=CC=C1
InChIInChI=1S/C13H23BO2/c1-3-5-11-15-14(16-12-6-4-2)13-9-7-8-10-13/h7-10,13H,3-6,11-12H2,1-2H3
InChIKeyMAHCTDIMYUPQMJ-UHFFFAOYSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.14
LogP ≤ 53.60
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'}

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Related Compounds

trihexyl borate
CID 21423
pentyl diphenyl borate
CID 67256400
dibutyl (3,5-ditert-butyl-4-methylphenyl) borate
CID 71436737
6-butoxycyclohexa-2,4-diene-1-carboxylic acid
CID 175024071
tridecoxyboronic acid;tridodecyl borate
CID 174050200
5-nonoxycyclopenta-1,3-diene
CID 172821169
butoxy-dimethoxy-methylsilane
CID 54136554
dibutoxy-methoxy-methylsilane
CID 525738
tris(4-octadecylsulfanylbutyl) borate
CID 139922481
2-butoxy-3-methyl-3a,7a-dihydro-1H-indole
CID 71096840
tris(2-hexadecoxyethyl) borate
CID 20570243
di(cyclopenta-2,4-dien-1-yl)-dihexoxysilane
CID 100958472

Frequently Asked Questions

What is the IUPAC name of dibutoxy(cyclopenta-2,4-dien-1-yl)borane?
The IUPAC name of dibutoxy(cyclopenta-2,4-dien-1-yl)borane (CID 101333486) is dibutoxy(cyclopenta-2,4-dien-1-yl)borane.
What is the SMILES notation for dibutoxy(cyclopenta-2,4-dien-1-yl)borane?
The canonical SMILES for dibutoxy(cyclopenta-2,4-dien-1-yl)borane is CCCCOB(OCCCC)C1C=CC=C1.
What is the InChIKey of dibutoxy(cyclopenta-2,4-dien-1-yl)borane?
The InChIKey is MAHCTDIMYUPQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BO2/c1-3-5-11-15-14(16-12-6-4-2)13-9-7-8-10-13/h7-10,13H,3-6,11-12H2,1-2H3.
What are the key properties of dibutoxy(cyclopenta-2,4-dien-1-yl)borane?
dibutoxy(cyclopenta-2,4-dien-1-yl)borane has a molecular weight of 222.14 g/mol, XLogP of 3.60, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxy(cyclopenta-2,4-dien-1-yl)borane is sourced from PubChem (CID 101333486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).