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

C14H25BO4 — CID 142308098

IUPAC2-(4,4-dimethoxycyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOC1(OC)CC=C(B2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C14H25BO4/c1-12(2)13(3,4)19-15(18-12)11-7-9-14(16-5,17-6)10-8-11/h7H,8-10H2,1-6H3
InChIKeyZGZQXLGZHVAPFG-UHFFFAOYSA-N
MW268.16 g/mol
LogP2.72
Rot. Bonds3

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

2-(4,4-dimethoxycyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 142308098) has the molecular formula C14H25BO4 and a molecular weight of 268.16 g/mol. Its IUPAC name is 2-(4,4-dimethoxycyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(4,4-dimethoxycyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID142308098
Molecular FormulaC14H25BO4
Molecular Weight268.16 g/mol
Exact Mass268.18
IUPAC Name2-(4,4-dimethoxycyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOC1(OC)CC=C(B2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C14H25BO4/c1-12(2)13(3,4)19-15(18-12)11-7-9-14(16-5,17-6)10-8-11/h7H,8-10H2,1-6H3
InChIKeyZGZQXLGZHVAPFG-UHFFFAOYSA-N
XLogP2.72
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 52.72
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-(4,4-dimethoxycyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(4,4-dimethoxycyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 142308098) is 2-(4,4-dimethoxycyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(4,4-dimethoxycyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(4,4-dimethoxycyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COC1(OC)CC=C(B2OC(C)(C)C(C)(C)O2)CC1.
What is the InChIKey of 2-(4,4-dimethoxycyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is ZGZQXLGZHVAPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BO4/c1-12(2)13(3,4)19-15(18-12)11-7-9-14(16-5,17-6)10-8-11/h7H,8-10H2,1-6H3.
What are the key properties of 2-(4,4-dimethoxycyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(4,4-dimethoxycyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 268.16 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethoxycyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 142308098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).