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

C14H25BO3 — CID 167735006

IUPAC2-(4-cyclopropyloxan-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2(C3CC3)CCOCC2)OC1(C)C
InChIInChI=1S/C14H25BO3/c1-12(2)13(3,4)18-15(17-12)14(11-5-6-11)7-9-16-10-8-14/h11H,5-10H2,1-4H3
InChIKeyIYKQTRWCPWUCFE-UHFFFAOYSA-N
MW252.16 g/mol
LogP3.04
Rot. Bonds2

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

2-(4-cyclopropyloxan-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 167735006) has the molecular formula C14H25BO3 and a molecular weight of 252.16 g/mol. Its IUPAC name is 2-(4-cyclopropyloxan-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(4-cyclopropyloxan-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID167735006
Molecular FormulaC14H25BO3
Molecular Weight252.16 g/mol
Exact Mass252.19
IUPAC Name2-(4-cyclopropyloxan-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2(C3CC3)CCOCC2)OC1(C)C
InChIInChI=1S/C14H25BO3/c1-12(2)13(3,4)18-15(17-12)14(11-5-6-11)7-9-16-10-8-14/h11H,5-10H2,1-4H3
InChIKeyIYKQTRWCPWUCFE-UHFFFAOYSA-N
XLogP3.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.16
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-(4-cyclopropyloxan-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(4-cyclopropyloxan-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 167735006) is 2-(4-cyclopropyloxan-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(4-cyclopropyloxan-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(4-cyclopropyloxan-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C2(C3CC3)CCOCC2)OC1(C)C.
What is the InChIKey of 2-(4-cyclopropyloxan-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is IYKQTRWCPWUCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BO3/c1-12(2)13(3,4)18-15(17-12)14(11-5-6-11)7-9-16-10-8-14/h11H,5-10H2,1-4H3.
What are the key properties of 2-(4-cyclopropyloxan-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(4-cyclopropyloxan-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 252.16 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyloxan-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 167735006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).