2,3,4-tributoxyborinine

C17H29BO3 — CID 23617224

IUPAC2,3,4-tributoxyborinine
SMILESCCCCOc1bccc(OCCCC)c1OCCCC
InChIInChI=1S/C17H29BO3/c1-4-7-12-19-15-10-11-18-17(21-14-9-6-3)16(15)20-13-8-5-2/h10-11H,4-9,12-14H2,1-3H3
InChIKeyGSJTXWTVSFGBDA-UHFFFAOYSA-N
MW292.23 g/mol
LogP4.56
Rot. Bonds12

About 2,3,4-tributoxyborinine

2,3,4-tributoxyborinine (PubChem CID 23617224) has the molecular formula C17H29BO3 and a molecular weight of 292.23 g/mol. Its IUPAC name is 2,3,4-tributoxyborinine.

Molecular Properties

Compound Name2,3,4-tributoxyborinine
PubChem CID23617224
Molecular FormulaC17H29BO3
Molecular Weight292.23 g/mol
Exact Mass292.22
IUPAC Name2,3,4-tributoxyborinine
SMILESCCCCOc1bccc(OCCCC)c1OCCCC
InChIInChI=1S/C17H29BO3/c1-4-7-12-19-15-10-11-18-17(21-14-9-6-3)16(15)20-13-8-5-2/h10-11H,4-9,12-14H2,1-3H3
InChIKeyGSJTXWTVSFGBDA-UHFFFAOYSA-N
XLogP4.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.23
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,3,4-tributoxyborinine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3-tridodecoxybenzene
CID 11308140
1,2,3-trihexadecoxybenzene
CID 15518170
1,4-dibutoxynaphthalene
CID 22016411
1-butoxynaphthalene
CID 13262700
1-butoxy-3,4-diethoxy-2-propoxybenzene
CID 70308911
2-dodecoxy-1-methoxy-3-propoxybenzene
CID 142743634
2,3-dipentoxyphenol
CID 57426098
5-butoxynaphthalen-1-amine
CID 67167958
1,3-dibutoxy-2-methylbenzene
CID 14475066
2-butoxybenzene-1,3-diol
CID 101011168
2,3,4-tridodecoxyphenol
CID 67180426
bis(2,3,4-tributoxyphenyl)silyloxy-bis(2,3,4-tributoxyphenyl)silane
CID 137329899

Frequently Asked Questions

What is the IUPAC name of 2,3,4-tributoxyborinine?
The IUPAC name of 2,3,4-tributoxyborinine (CID 23617224) is 2,3,4-tributoxyborinine.
What is the SMILES notation for 2,3,4-tributoxyborinine?
The canonical SMILES for 2,3,4-tributoxyborinine is CCCCOc1bccc(OCCCC)c1OCCCC.
What is the InChIKey of 2,3,4-tributoxyborinine?
The InChIKey is GSJTXWTVSFGBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29BO3/c1-4-7-12-19-15-10-11-18-17(21-14-9-6-3)16(15)20-13-8-5-2/h10-11H,4-9,12-14H2,1-3H3.
What are the key properties of 2,3,4-tributoxyborinine?
2,3,4-tributoxyborinine has a molecular weight of 292.23 g/mol, XLogP of 4.56, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-tributoxyborinine is sourced from PubChem (CID 23617224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).