4,4,5,5-tetramethyl-2-pent-4-enyl-1,3,2-dioxaborolane

C11H21BO2 — CID 15260003

IUPAC4,4,5,5-tetramethyl-2-pent-4-enyl-1,3,2-dioxaborolane
SMILESC=CCCCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H21BO2/c1-6-7-8-9-12-13-10(2,3)11(4,5)14-12/h6H,1,7-9H2,2-5H3
InChIKeyMDJWICJDSRJONO-UHFFFAOYSA-N
MW196.10 g/mol
LogP3.04
Rot. Bonds4

About 4,4,5,5-tetramethyl-2-pent-4-enyl-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-pent-4-enyl-1,3,2-dioxaborolane (PubChem CID 15260003) 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-4-enyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-pent-4-enyl-1,3,2-dioxaborolane
PubChem CID15260003
Molecular FormulaC11H21BO2
Molecular Weight196.10 g/mol
Exact Mass196.16
IUPAC Name4,4,5,5-tetramethyl-2-pent-4-enyl-1,3,2-dioxaborolane
SMILESC=CCCCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H21BO2/c1-6-7-8-9-12-13-10(2,3)11(4,5)14-12/h6H,1,7-9H2,2-5H3
InChIKeyMDJWICJDSRJONO-UHFFFAOYSA-N
XLogP3.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.10
LogP ≤ 53.04
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-pent-4-enyl-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-pent-4-enyl-1,3,2-dioxaborolane (CID 15260003) is 4,4,5,5-tetramethyl-2-pent-4-enyl-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-pent-4-enyl-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-pent-4-enyl-1,3,2-dioxaborolane is C=CCCCB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-pent-4-enyl-1,3,2-dioxaborolane?
The InChIKey is MDJWICJDSRJONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BO2/c1-6-7-8-9-12-13-10(2,3)11(4,5)14-12/h6H,1,7-9H2,2-5H3.
What are the key properties of 4,4,5,5-tetramethyl-2-pent-4-enyl-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-pent-4-enyl-1,3,2-dioxaborolane has a molecular weight of 196.10 g/mol, XLogP of 3.04, 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-pent-4-enyl-1,3,2-dioxaborolane is sourced from PubChem (CID 15260003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).