4,4,5,5-tetramethyl-2-non-1-enyl-1,3,2-dioxaborolane

C15H29BO2 — CID 86013616

IUPAC4,4,5,5-tetramethyl-2-non-1-enyl-1,3,2-dioxaborolane
SMILESCCCCCCCC=CB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H29BO2/c1-6-7-8-9-10-11-12-13-16-17-14(2,3)15(4,5)18-16/h12-13H,6-11H2,1-5H3
InChIKeyCJPVXAVATPAOEO-UHFFFAOYSA-N
MW252.21 g/mol
LogP4.53
Rot. Bonds7

About 4,4,5,5-tetramethyl-2-non-1-enyl-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-non-1-enyl-1,3,2-dioxaborolane (PubChem CID 86013616) has the molecular formula C15H29BO2 and a molecular weight of 252.21 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-non-1-enyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-non-1-enyl-1,3,2-dioxaborolane
PubChem CID86013616
Molecular FormulaC15H29BO2
Molecular Weight252.21 g/mol
Exact Mass252.23
IUPAC Name4,4,5,5-tetramethyl-2-non-1-enyl-1,3,2-dioxaborolane
SMILESCCCCCCCC=CB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H29BO2/c1-6-7-8-9-10-11-12-13-16-17-14(2,3)15(4,5)18-16/h12-13H,6-11H2,1-5H3
InChIKeyCJPVXAVATPAOEO-UHFFFAOYSA-N
XLogP4.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 54.53
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'}

Analyze 4,4,5,5-tetramethyl-2-non-1-enyl-1,3,2-dioxaborolane 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

2-[(1E,3E,11Z)-icosa-1,3,11-trienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 101160797
2-[(E)-5-bromopent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 167722175
2-[(E)-5-chloropent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11128132
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-enoic acid
CID 174052207
2-[(Z)-dodec-1-enyl]-1,3,2-dioxaborolane
CID 10082894
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enyl]carbamate
CID 155738497
2-(3-bromoprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 71332875
4,4,5,5-tetramethyl-2-[3-[(E)-oct-1-enyl]-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane
CID 164510862
(E)-nonacos-10-ene
CID 14367300
(Z)-docos-9-ene
CID 11690102
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-non-1-enyl-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-non-1-enyl-1,3,2-dioxaborolane (CID 86013616) is 4,4,5,5-tetramethyl-2-non-1-enyl-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-non-1-enyl-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-non-1-enyl-1,3,2-dioxaborolane is CCCCCCCC=CB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-non-1-enyl-1,3,2-dioxaborolane?
The InChIKey is CJPVXAVATPAOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29BO2/c1-6-7-8-9-10-11-12-13-16-17-14(2,3)15(4,5)18-16/h12-13H,6-11H2,1-5H3.
What are the key properties of 4,4,5,5-tetramethyl-2-non-1-enyl-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-non-1-enyl-1,3,2-dioxaborolane has a molecular weight of 252.21 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-non-1-enyl-1,3,2-dioxaborolane is sourced from PubChem (CID 86013616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).