butoxy(dipropyl)borane

C10H23BO — CID 13227163

IUPACbutoxy(dipropyl)borane
SMILESCCCCOB(CCC)CCC
InChIInChI=1S/C10H23BO/c1-4-7-10-12-11(8-5-2)9-6-3/h4-10H2,1-3H3
InChIKeyCTUSSIKKPFNVDP-UHFFFAOYSA-N
MW170.10 g/mol
LogP3.61
Rot. Bonds8

About butoxy(dipropyl)borane

butoxy(dipropyl)borane (PubChem CID 13227163) has the molecular formula C10H23BO and a molecular weight of 170.10 g/mol. Its IUPAC name is butoxy(dipropyl)borane.

Molecular Properties

Compound Namebutoxy(dipropyl)borane
PubChem CID13227163
Molecular FormulaC10H23BO
Molecular Weight170.10 g/mol
Exact Mass170.18
IUPAC Namebutoxy(dipropyl)borane
SMILESCCCCOB(CCC)CCC
InChIInChI=1S/C10H23BO/c1-4-7-10-12-11(8-5-2)9-6-3/h4-10H2,1-3H3
InChIKeyCTUSSIKKPFNVDP-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.10
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Tributyl borate
CID 12712
Boric acid (H3BO3), tripropyl ester
CID 12711
Tributyl borate-10B
CID 16212785
Dibutyl iodomethaneboronate
CID 98591
Borinic acid, dibutyl-, methyl ester
CID 5326104
Dibutyl ethynylboronate
CID 21677676
Butyl dibutylborinate
CID 11830386
Dibutyl 1-butaneboronate
CID 12420349
Ethaneboronic acid dibutyl ester
CID 12421680
Butyl diethylborinate
CID 12434719
Diethyl 2-butylboronate
CID 13278257
Di(butan-2-yl)-methoxyborane
CID 13496110

Frequently Asked Questions

What is the IUPAC name of butoxy(dipropyl)borane?
The IUPAC name of butoxy(dipropyl)borane (CID 13227163) is butoxy(dipropyl)borane.
What is the SMILES notation for butoxy(dipropyl)borane?
The canonical SMILES for butoxy(dipropyl)borane is CCCCOB(CCC)CCC.
What is the InChIKey of butoxy(dipropyl)borane?
The InChIKey is CTUSSIKKPFNVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23BO/c1-4-7-10-12-11(8-5-2)9-6-3/h4-10H2,1-3H3.
What are the key properties of butoxy(dipropyl)borane?
butoxy(dipropyl)borane has a molecular weight of 170.10 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy(dipropyl)borane is sourced from PubChem (CID 13227163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).