4,4,5,5-tetramethyl-2-pent-2-en-3-yl-1,3,2-dioxaborolane

C11H21BO2 — CID 76819365

IUPAC4,4,5,5-tetramethyl-2-pent-2-en-3-yl-1,3,2-dioxaborolane
SMILESCC=C(CC)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H21BO2/c1-7-9(8-2)12-13-10(3,4)11(5,6)14-12/h7H,8H2,1-6H3
InChIKeyXPJWRJVGLYLNIU-UHFFFAOYSA-N
MW196.10 g/mol
LogP2.97
Rot. Bonds2

About 4,4,5,5-tetramethyl-2-pent-2-en-3-yl-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-pent-2-en-3-yl-1,3,2-dioxaborolane (PubChem CID 76819365) has the molecular formula C11H21BO2 and a molecular weight of 196.10 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-pent-2-en-3-yl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-pent-2-en-3-yl-1,3,2-dioxaborolane
PubChem CID76819365
Molecular FormulaC11H21BO2
Molecular Weight196.10 g/mol
Exact Mass196.16
IUPAC Name4,4,5,5-tetramethyl-2-pent-2-en-3-yl-1,3,2-dioxaborolane
SMILESCC=C(CC)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H21BO2/c1-7-9(8-2)12-13-10(3,4)11(5,6)14-12/h7H,8H2,1-6H3
InChIKeyXPJWRJVGLYLNIU-UHFFFAOYSA-N
XLogP2.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.10
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methylpent-2-yne;prop-2-en-1-amine;4,4,5,5-tetramethyl-2-[(Z)-pent-2-en-3-yl]-1,3,2-dioxaborolane
CID 162681199
(Z)-N'-ethyl-N-methyl-N'-[(Z)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]ethene-1,2-diamine
CID 174004814
4,4,5,5-tetramethyl-2-[(3E,5E)-6-phenylhexa-3,5-dien-3-yl]-1,3,2-dioxaborolane
CID 154711820
(4Z)-2,3,3,7-tetramethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octa-4,7-dien-2-amine
CID 177175036
4,4,5,5-tetramethyl-2-[(Z)-1-phenylpent-1-en-2-yl]-1,3,2-dioxaborolane
CID 66553482
2-[(Z)-1-fluoropent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164530123
N-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propylideneamino]methanamine
CID 142517046
4,4,5,5-tetramethyl-2-penta-1,3-dien-2-yl-1,3,2-dioxaborolane
CID 123806894
4,4,5,5-tetramethyl-2-[(E)-1-phenylhex-1-en-2-yl]-1,3,2-dioxaborolane
CID 10957083
[(Z)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-2-enyl] acetate
CID 102140931
ethyl (Z)-4,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-enoate
CID 134903901
3-(4-ethenylphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-ol
CID 170800993

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-pent-2-en-3-yl-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-pent-2-en-3-yl-1,3,2-dioxaborolane (CID 76819365) is 4,4,5,5-tetramethyl-2-pent-2-en-3-yl-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-pent-2-en-3-yl-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-pent-2-en-3-yl-1,3,2-dioxaborolane is CC=C(CC)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-pent-2-en-3-yl-1,3,2-dioxaborolane?
The InChIKey is XPJWRJVGLYLNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BO2/c1-7-9(8-2)12-13-10(3,4)11(5,6)14-12/h7H,8H2,1-6H3.
What are the key properties of 4,4,5,5-tetramethyl-2-pent-2-en-3-yl-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-pent-2-en-3-yl-1,3,2-dioxaborolane has a molecular weight of 196.10 g/mol, XLogP of 2.97, 2 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-pent-2-en-3-yl-1,3,2-dioxaborolane is sourced from PubChem (CID 76819365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).