2-(4-ethoxy-4-methoxycyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H27BO4 — CID 155746356

IUPAC2-(4-ethoxy-4-methoxycyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCOC1(OC)CC=C(B2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C15H27BO4/c1-7-18-15(17-6)10-8-12(9-11-15)16-19-13(2,3)14(4,5)20-16/h8H,7,9-11H2,1-6H3
InChIKeyRVWWDNAEBAMYQT-UHFFFAOYSA-N
MW282.19 g/mol
LogP3.11
Rot. Bonds4

About 2-(4-ethoxy-4-methoxycyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(4-ethoxy-4-methoxycyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 155746356) has the molecular formula C15H27BO4 and a molecular weight of 282.19 g/mol. Its IUPAC name is 2-(4-ethoxy-4-methoxycyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(4-ethoxy-4-methoxycyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID155746356
Molecular FormulaC15H27BO4
Molecular Weight282.19 g/mol
Exact Mass282.20
IUPAC Name2-(4-ethoxy-4-methoxycyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCOC1(OC)CC=C(B2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C15H27BO4/c1-7-18-15(17-6)10-8-12(9-11-15)16-19-13(2,3)14(4,5)20-16/h8H,7,9-11H2,1-6H3
InChIKeyRVWWDNAEBAMYQT-UHFFFAOYSA-N
XLogP3.11
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-4-methoxycyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(4-ethoxy-4-methoxycyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 155746356) is 2-(4-ethoxy-4-methoxycyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(4-ethoxy-4-methoxycyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(4-ethoxy-4-methoxycyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCOC1(OC)CC=C(B2OC(C)(C)C(C)(C)O2)CC1.
What is the InChIKey of 2-(4-ethoxy-4-methoxycyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is RVWWDNAEBAMYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BO4/c1-7-18-15(17-6)10-8-12(9-11-15)16-19-13(2,3)14(4,5)20-16/h8H,7,9-11H2,1-6H3.
What are the key properties of 2-(4-ethoxy-4-methoxycyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(4-ethoxy-4-methoxycyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 282.19 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-4-methoxycyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 155746356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).