4,4,5,5-tetramethyl-2-(5-methylhex-1-en-3-yl)-1,3,2-dioxaborolane

C13H25BO2 — CID 91108316

IUPAC4,4,5,5-tetramethyl-2-(5-methylhex-1-en-3-yl)-1,3,2-dioxaborolane
SMILESC=CC(CC(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C13H25BO2/c1-8-11(9-10(2)3)14-15-12(4,5)13(6,7)16-14/h8,10-11H,1,9H2,2-7H3
InChIKeyGANZCASSTKLCOB-UHFFFAOYSA-N
MW224.15 g/mol
LogP3.68
Rot. Bonds4

About 4,4,5,5-tetramethyl-2-(5-methylhex-1-en-3-yl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(5-methylhex-1-en-3-yl)-1,3,2-dioxaborolane (PubChem CID 91108316) has the molecular formula C13H25BO2 and a molecular weight of 224.15 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(5-methylhex-1-en-3-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(5-methylhex-1-en-3-yl)-1,3,2-dioxaborolane
PubChem CID91108316
Molecular FormulaC13H25BO2
Molecular Weight224.15 g/mol
Exact Mass224.19
IUPAC Name4,4,5,5-tetramethyl-2-(5-methylhex-1-en-3-yl)-1,3,2-dioxaborolane
SMILESC=CC(CC(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C13H25BO2/c1-8-11(9-10(2)3)14-15-12(4,5)13(6,7)16-14/h8,10-11H,1,9H2,2-7H3
InChIKeyGANZCASSTKLCOB-UHFFFAOYSA-N
XLogP3.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.15
LogP ≤ 53.68
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'}

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Related Compounds

2-[(E)-hex-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11106616
(E)-2-(2-cyclohexylvinyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 12066515
4,4,5,5-Tetramethyl-2-[(1E)-pent-1-en-1-yl]-1,3,2-dioxaborolane
CID 15211560
(E)-2-Cyclopropylethylene-1-boronic acid, pinacol ester
CID 16217940
4,4,5,5-tetramethyl-2-((1E)-3-methylbut-1-en-1-yl)-1,3,2-dioxaborolane
CID 15206435
2-(But-3-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 46739762
2-(1-Cyclopentylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90093321
4,4,5,5-Tetramethyl-2-(pent-1-en-2-yl)-1,3,2-dioxaborolane
CID 123897364
(E)-4,4,5,5-Tetramethyl-2-(4-methylpent-1-en-1-yl)-1,3,2-dioxaborolane
CID 124273621
(E)-2-(Hept-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15181925
4,4,5,5-Tetramethyl-2-(pent-1-en-3-yl)-1,3,2-dioxaborolane
CID 11701200
2-[(1E)-4,4-dimethylpent-1-en-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 132597985

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(5-methylhex-1-en-3-yl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(5-methylhex-1-en-3-yl)-1,3,2-dioxaborolane (CID 91108316) is 4,4,5,5-tetramethyl-2-(5-methylhex-1-en-3-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(5-methylhex-1-en-3-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(5-methylhex-1-en-3-yl)-1,3,2-dioxaborolane is C=CC(CC(C)C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(5-methylhex-1-en-3-yl)-1,3,2-dioxaborolane?
The InChIKey is GANZCASSTKLCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BO2/c1-8-11(9-10(2)3)14-15-12(4,5)13(6,7)16-14/h8,10-11H,1,9H2,2-7H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(5-methylhex-1-en-3-yl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(5-methylhex-1-en-3-yl)-1,3,2-dioxaborolane has a molecular weight of 224.15 g/mol, XLogP of 3.68, 4 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-(5-methylhex-1-en-3-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 91108316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).