4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane

C9H17BO2 — CID 11344214

IUPAC4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane
SMILESC/C=C/B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C9H17BO2/c1-6-7-10-11-8(2,3)9(4,5)12-10/h6-7H,1-5H3/b7-6+
InChIKeyCOPMASWDWLENMV-VOTSOKGWSA-N
MW168.05 g/mol
LogP2.19
Rot. Bonds1

About 4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane (PubChem CID 11344214) has the molecular formula C9H17BO2 and a molecular weight of 168.05 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane
PubChem CID11344214
Molecular FormulaC9H17BO2
Molecular Weight168.05 g/mol
Exact Mass168.13
IUPAC Name4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane
SMILESC/C=C/B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C9H17BO2/c1-6-7-10-11-8(2,3)9(4,5)12-10/h6-7H,1-5H3/b7-6+
InChIKeyCOPMASWDWLENMV-VOTSOKGWSA-N
XLogP2.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.05
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane (CID 11344214) is 4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane is C/C=C/B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane?
The InChIKey is COPMASWDWLENMV-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H17BO2/c1-6-7-10-11-8(2,3)9(4,5)12-10/h6-7H,1-5H3/b7-6+.
What are the key properties of 4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(E)-prop-1-enyl]-1,3,2-dioxaborolane has a molecular weight of 168.05 g/mol, XLogP of 2.19, 1 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-[(E)-prop-1-enyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 11344214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).