2-[(2Z,4Z)-6-ethylocta-2,4-dien-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C16H29BO2 — CID 89192820

IUPAC2-[(2Z,4Z)-6-ethylocta-2,4-dien-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC/C=C(\C=C/C(CC)CC)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H29BO2/c1-8-13(9-2)11-12-14(10-3)17-18-15(4,5)16(6,7)19-17/h10-13H,8-9H2,1-7H3/b12-11-,14-10+
InChIKeyZCRNGQVWBSCKPB-QOBSPMRMSA-N
MW264.22 g/mol
LogP4.56
Rot. Bonds5

About 2-[(2Z,4Z)-6-ethylocta-2,4-dien-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(2Z,4Z)-6-ethylocta-2,4-dien-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 89192820) has the molecular formula C16H29BO2 and a molecular weight of 264.22 g/mol. Its IUPAC name is 2-[(2Z,4Z)-6-ethylocta-2,4-dien-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(2Z,4Z)-6-ethylocta-2,4-dien-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID89192820
Molecular FormulaC16H29BO2
Molecular Weight264.22 g/mol
Exact Mass264.23
IUPAC Name2-[(2Z,4Z)-6-ethylocta-2,4-dien-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC/C=C(\C=C/C(CC)CC)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H29BO2/c1-8-13(9-2)11-12-14(10-3)17-18-15(4,5)16(6,7)19-17/h10-13H,8-9H2,1-7H3/b12-11-,14-10+
InChIKeyZCRNGQVWBSCKPB-QOBSPMRMSA-N
XLogP4.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2Z,4Z)-6-ethylocta-2,4-dien-3-yl]-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

4,4,5,5-Tetramethyl-2-(4-methylcyclohex-1-en-1-yl)-1,3,2-dioxaborolane
CID 58924635
4,4,5,5-Tetramethyl-2-[4-(propan-2-yl)cyclohex-1-en-1-yl]-1,3,2-dioxaborolane
CID 74788596
2-Cyclopenta-1,3-dien-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 13828422
(E)-2-(2-(cyclohex-1-en-1-yl)vinyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11310851
2-[(1E)-3-ethylpent-1-en-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 165646498
Agn-PC-009zql
CID 11482352
2-(2-Cyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15486612
2-(4,4-Dimethylcyclohexa-1,5-dien-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 44119647
2-[(2E)-3,7-Dimethylocta-2,6-dien-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 57416217
Cyclopent-3-EN-1-ylboronic acid pinacol ester
CID 58414455
2-[(E)-hept-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 66886420
2-Cyclopenta-1,4-dien-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 68032199

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z,4Z)-6-ethylocta-2,4-dien-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(2Z,4Z)-6-ethylocta-2,4-dien-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 89192820) is 2-[(2Z,4Z)-6-ethylocta-2,4-dien-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(2Z,4Z)-6-ethylocta-2,4-dien-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(2Z,4Z)-6-ethylocta-2,4-dien-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C/C=C(\C=C/C(CC)CC)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[(2Z,4Z)-6-ethylocta-2,4-dien-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is ZCRNGQVWBSCKPB-QOBSPMRMSA-N. The full InChI is InChI=1S/C16H29BO2/c1-8-13(9-2)11-12-14(10-3)17-18-15(4,5)16(6,7)19-17/h10-13H,8-9H2,1-7H3/b12-11-,14-10+.
What are the key properties of 2-[(2Z,4Z)-6-ethylocta-2,4-dien-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(2Z,4Z)-6-ethylocta-2,4-dien-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 264.22 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z,4Z)-6-ethylocta-2,4-dien-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 89192820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).