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

C11H21BO4 — CID 90117460

IUPAC2-[(Z)-3-(methoxymethoxy)prop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOCOC/C=C\B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H21BO4/c1-10(2)11(3,4)16-12(15-10)7-6-8-14-9-13-5/h6-7H,8-9H2,1-5H3/b7-6-
InChIKeyXXQTWLKWBFKDAT-SREVYHEPSA-N
MW228.10 g/mol
LogP1.79
Rot. Bonds5

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

2-[(Z)-3-(methoxymethoxy)prop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 90117460) has the molecular formula C11H21BO4 and a molecular weight of 228.10 g/mol. Its IUPAC name is 2-[(Z)-3-(methoxymethoxy)prop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(Z)-3-(methoxymethoxy)prop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID90117460
Molecular FormulaC11H21BO4
Molecular Weight228.10 g/mol
Exact Mass228.15
IUPAC Name2-[(Z)-3-(methoxymethoxy)prop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOCOC/C=C\B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H21BO4/c1-10(2)11(3,4)16-12(15-10)7-6-8-14-9-13-5/h6-7H,8-9H2,1-5H3/b7-6-
InChIKeyXXQTWLKWBFKDAT-SREVYHEPSA-N
XLogP1.79
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.10
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[(Z)-3-(methoxymethoxy)prop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-(methoxymethoxy)prop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(Z)-3-(methoxymethoxy)prop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 90117460) is 2-[(Z)-3-(methoxymethoxy)prop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(Z)-3-(methoxymethoxy)prop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(Z)-3-(methoxymethoxy)prop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COCOC/C=C\B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[(Z)-3-(methoxymethoxy)prop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is XXQTWLKWBFKDAT-SREVYHEPSA-N. The full InChI is InChI=1S/C11H21BO4/c1-10(2)11(3,4)16-12(15-10)7-6-8-14-9-13-5/h6-7H,8-9H2,1-5H3/b7-6-.
What are the key properties of 2-[(Z)-3-(methoxymethoxy)prop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(Z)-3-(methoxymethoxy)prop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 228.10 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-(methoxymethoxy)prop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 90117460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).