2-[1-(cyclohexen-1-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H27BO2 — CID 166439529

IUPAC2-[1-(cyclohexen-1-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCC(B1OC(C)(C)C(C)(C)O1)C1=CCCCC1
InChIInChI=1S/C15H27BO2/c1-6-13(12-10-8-7-9-11-12)16-17-14(2,3)15(4,5)18-16/h10,13H,6-9,11H2,1-5H3
InChIKeyIGTNESHMRIVLET-UHFFFAOYSA-N
MW250.19 g/mol
LogP4.36
Rot. Bonds3

About 2-[1-(cyclohexen-1-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[1-(cyclohexen-1-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 166439529) has the molecular formula C15H27BO2 and a molecular weight of 250.19 g/mol. Its IUPAC name is 2-[1-(cyclohexen-1-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[1-(cyclohexen-1-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID166439529
Molecular FormulaC15H27BO2
Molecular Weight250.19 g/mol
Exact Mass250.21
IUPAC Name2-[1-(cyclohexen-1-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCC(B1OC(C)(C)C(C)(C)O1)C1=CCCCC1
InChIInChI=1S/C15H27BO2/c1-6-13(12-10-8-7-9-11-12)16-17-14(2,3)15(4,5)18-16/h10,13H,6-9,11H2,1-5H3
InChIKeyIGTNESHMRIVLET-UHFFFAOYSA-N
XLogP4.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[1-(cyclohexen-1-yl)propyl]-4,4,5,5-tetramethyl-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

1-[(2R)-butan-2-yl]cyclohexene
CID 13107632
2-(cyclohepten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15486609
2-(cyclohexen-1-yl)-4-ethyl-4,5,5-trimethyl-1,3,2-dioxaborolane
CID 89442592
2-[(1S,2S)-2-deuterio-1-phenylpropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 139254233
1-(cyclohexen-1-yl)butan-1-amine
CID 62079375
N-[cycloocten-1-yl-(1-methylcyclopentyl)methyl]ethanamine
CID 106656551
[1-(cyclohexen-1-yl)-2-methylbutyl]hydrazine
CID 106648898
3-(cycloocten-1-yl)pentanenitrile
CID 154231567
1-(1-iodoethyl)cyclohexene
CID 126621262
1-(cycloocten-1-yl)-2-ethoxybutan-1-amine
CID 106654440
cyclohexen-1-ylmethanediol
CID 21392290
N-[cyclohepten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 66477456

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexen-1-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[1-(cyclohexen-1-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 166439529) is 2-[1-(cyclohexen-1-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[1-(cyclohexen-1-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[1-(cyclohexen-1-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCC(B1OC(C)(C)C(C)(C)O1)C1=CCCCC1.
What is the InChIKey of 2-[1-(cyclohexen-1-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is IGTNESHMRIVLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BO2/c1-6-13(12-10-8-7-9-11-12)16-17-14(2,3)15(4,5)18-16/h10,13H,6-9,11H2,1-5H3.
What are the key properties of 2-[1-(cyclohexen-1-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[1-(cyclohexen-1-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 250.19 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexen-1-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 166439529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).