dibutyl-(4-methylcyclohexen-1-yl)oxyborane

C15H29BO — CID 15758320

IUPACdibutyl-(4-methylcyclohexen-1-yl)oxyborane
SMILESCCCCB(CCCC)OC1=CCC(C)CC1
InChIInChI=1S/C15H29BO/c1-4-6-12-16(13-7-5-2)17-15-10-8-14(3)9-11-15/h10,14H,4-9,11-13H2,1-3H3
InChIKeyUVLQVNODCMUJDY-UHFFFAOYSA-N
MW236.21 g/mol
LogP5.30
Rot. Bonds8

About dibutyl-(4-methylcyclohexen-1-yl)oxyborane

dibutyl-(4-methylcyclohexen-1-yl)oxyborane (PubChem CID 15758320) has the molecular formula C15H29BO and a molecular weight of 236.21 g/mol. Its IUPAC name is dibutyl-(4-methylcyclohexen-1-yl)oxyborane.

Molecular Properties

Compound Namedibutyl-(4-methylcyclohexen-1-yl)oxyborane
PubChem CID15758320
Molecular FormulaC15H29BO
Molecular Weight236.21 g/mol
Exact Mass236.23
IUPAC Namedibutyl-(4-methylcyclohexen-1-yl)oxyborane
SMILESCCCCB(CCCC)OC1=CCC(C)CC1
InChIInChI=1S/C15H29BO/c1-4-6-12-16(13-7-5-2)17-15-10-8-14(3)9-11-15/h10,14H,4-9,11-13H2,1-3H3
InChIKeyUVLQVNODCMUJDY-UHFFFAOYSA-N
XLogP5.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.21
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dibutyl-(4-methylcyclohexen-1-yl)oxyborane?
The IUPAC name of dibutyl-(4-methylcyclohexen-1-yl)oxyborane (CID 15758320) is dibutyl-(4-methylcyclohexen-1-yl)oxyborane.
What is the SMILES notation for dibutyl-(4-methylcyclohexen-1-yl)oxyborane?
The canonical SMILES for dibutyl-(4-methylcyclohexen-1-yl)oxyborane is CCCCB(CCCC)OC1=CCC(C)CC1.
What is the InChIKey of dibutyl-(4-methylcyclohexen-1-yl)oxyborane?
The InChIKey is UVLQVNODCMUJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29BO/c1-4-6-12-16(13-7-5-2)17-15-10-8-14(3)9-11-15/h10,14H,4-9,11-13H2,1-3H3.
What are the key properties of dibutyl-(4-methylcyclohexen-1-yl)oxyborane?
dibutyl-(4-methylcyclohexen-1-yl)oxyborane has a molecular weight of 236.21 g/mol, XLogP of 5.30, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-(4-methylcyclohexen-1-yl)oxyborane is sourced from PubChem (CID 15758320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).