4,4,5,5-tetramethyl-2-[(1E,3E)-nona-1,3-dienyl]-1,3,2-dioxaborolane

C15H27BO2 — CID 11086164

IUPAC4,4,5,5-tetramethyl-2-[(1E,3E)-nona-1,3-dienyl]-1,3,2-dioxaborolane
SMILESCCCCC/C=C/C=C/B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H27BO2/c1-6-7-8-9-10-11-12-13-16-17-14(2,3)15(4,5)18-16/h10-13H,6-9H2,1-5H3/b11-10+,13-12+
InChIKeyPWJQJNQJVSNHHJ-AQASXUMVSA-N
MW250.19 g/mol
LogP4.31
Rot. Bonds6

About 4,4,5,5-tetramethyl-2-[(1E,3E)-nona-1,3-dienyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(1E,3E)-nona-1,3-dienyl]-1,3,2-dioxaborolane (PubChem CID 11086164) has the molecular formula C15H27BO2 and a molecular weight of 250.19 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(1E,3E)-nona-1,3-dienyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(1E,3E)-nona-1,3-dienyl]-1,3,2-dioxaborolane
PubChem CID11086164
Molecular FormulaC15H27BO2
Molecular Weight250.19 g/mol
Exact Mass250.21
IUPAC Name4,4,5,5-tetramethyl-2-[(1E,3E)-nona-1,3-dienyl]-1,3,2-dioxaborolane
SMILESCCCCC/C=C/C=C/B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H27BO2/c1-6-7-8-9-10-11-12-13-16-17-14(2,3)15(4,5)18-16/h10-13H,6-9H2,1-5H3/b11-10+,13-12+
InChIKeyPWJQJNQJVSNHHJ-AQASXUMVSA-N
XLogP4.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 54.31
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-(Cyclopent-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15486611
2-[(E)-hex-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11106616
2-(Cyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10932675
1-Cycloheptenylboronic acid pinacol ester
CID 15486609
(E)-2-(Hept-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15181925
4,4,5,5-tetramethyl-2-((2Z)-pent-2-en-3-yl)-1,3,2-dioxaborolane
CID 58548511
2-Cyclopenta-1,3-dien-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 13828422
trans-4,4,5,5-Tetramethyl-2-oct-1-enyl-1,3,2-dioxaborolane
CID 5706555
2-[(Z)-hex-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10104536
(Z)-4,4,5,5-tetramethyl-2-(oct-4-en-4-yl)-1,3,2-dioxaborolane
CID 11264894
(E)-2-(2-(cyclohex-1-en-1-yl)vinyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11310851
4,4,5,5-tetramethyl-2-[(E)-pent-3-en-2-yl]-1,3,2-dioxaborolane
CID 21771552

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(1E,3E)-nona-1,3-dienyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(1E,3E)-nona-1,3-dienyl]-1,3,2-dioxaborolane (CID 11086164) is 4,4,5,5-tetramethyl-2-[(1E,3E)-nona-1,3-dienyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(1E,3E)-nona-1,3-dienyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(1E,3E)-nona-1,3-dienyl]-1,3,2-dioxaborolane is CCCCC/C=C/C=C/B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(1E,3E)-nona-1,3-dienyl]-1,3,2-dioxaborolane?
The InChIKey is PWJQJNQJVSNHHJ-AQASXUMVSA-N. The full InChI is InChI=1S/C15H27BO2/c1-6-7-8-9-10-11-12-13-16-17-14(2,3)15(4,5)18-16/h10-13H,6-9H2,1-5H3/b11-10+,13-12+.
What are the key properties of 4,4,5,5-tetramethyl-2-[(1E,3E)-nona-1,3-dienyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(1E,3E)-nona-1,3-dienyl]-1,3,2-dioxaborolane has a molecular weight of 250.19 g/mol, XLogP of 4.31, 6 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-[(1E,3E)-nona-1,3-dienyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 11086164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).