ethyl(dipentoxy)borane

C12H27BO2 — CID 87643549

IUPACethyl(dipentoxy)borane
SMILESCCCCCOB(CC)OCCCCC
InChIInChI=1S/C12H27BO2/c1-4-7-9-11-14-13(6-3)15-12-10-8-5-2/h4-12H2,1-3H3
InChIKeyPBLZBASTDZLTRQ-UHFFFAOYSA-N
MW214.16 g/mol
LogP3.91
Rot. Bonds11

About ethyl(dipentoxy)borane

ethyl(dipentoxy)borane (PubChem CID 87643549) has the molecular formula C12H27BO2 and a molecular weight of 214.16 g/mol. Its IUPAC name is ethyl(dipentoxy)borane.

Molecular Properties

Compound Nameethyl(dipentoxy)borane
PubChem CID87643549
Molecular FormulaC12H27BO2
Molecular Weight214.16 g/mol
Exact Mass214.21
IUPAC Nameethyl(dipentoxy)borane
SMILESCCCCCOB(CC)OCCCCC
InChIInChI=1S/C12H27BO2/c1-4-7-9-11-14-13(6-3)15-12-10-8-5-2/h4-12H2,1-3H3
InChIKeyPBLZBASTDZLTRQ-UHFFFAOYSA-N
XLogP3.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.16
LogP ≤ 53.91
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

Tripentyl borate
CID 12134
Tributyl borate
CID 12712
Tributyl borate-10B
CID 16212785
Butyl dibutylborinate
CID 11830386
Dibutyl 1-butaneboronate
CID 12420349
Diethylborinic acid hexyl ester
CID 12421676
Hexyl dipropylborinate
CID 12421677
Hexyl dibutylborinate
CID 12421678
Ethaneboronic acid dibutyl ester
CID 12421680
Dihexyl 1-propaneboronate
CID 12421681
Butyl diethylborinate
CID 12434719
Butoxydipropylborane
CID 13227163

Frequently Asked Questions

What is the IUPAC name of ethyl(dipentoxy)borane?
The IUPAC name of ethyl(dipentoxy)borane (CID 87643549) is ethyl(dipentoxy)borane.
What is the SMILES notation for ethyl(dipentoxy)borane?
The canonical SMILES for ethyl(dipentoxy)borane is CCCCCOB(CC)OCCCCC.
What is the InChIKey of ethyl(dipentoxy)borane?
The InChIKey is PBLZBASTDZLTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27BO2/c1-4-7-9-11-14-13(6-3)15-12-10-8-5-2/h4-12H2,1-3H3.
What are the key properties of ethyl(dipentoxy)borane?
ethyl(dipentoxy)borane has a molecular weight of 214.16 g/mol, XLogP of 3.91, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(dipentoxy)borane is sourced from PubChem (CID 87643549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).