2-(2-decylcyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C19H37BO2 — CID 102159364

IUPAC2-(2-decylcyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCCCCCCCCC1CC1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C19H37BO2/c1-6-7-8-9-10-11-12-13-14-16-15-17(16)20-21-18(2,3)19(4,5)22-20/h16-17H,6-15H2,1-5H3
InChIKeyZMGUMFWNBOAICM-UHFFFAOYSA-N
MW308.32 g/mol
LogP6.00
Rot. Bonds10

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

2-(2-decylcyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 102159364) has the molecular formula C19H37BO2 and a molecular weight of 308.32 g/mol. Its IUPAC name is 2-(2-decylcyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(2-decylcyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID102159364
Molecular FormulaC19H37BO2
Molecular Weight308.32 g/mol
Exact Mass308.29
IUPAC Name2-(2-decylcyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCCCCCCCCC1CC1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C19H37BO2/c1-6-7-8-9-10-11-12-13-14-16-15-17(16)20-21-18(2,3)19(4,5)22-20/h16-17H,6-15H2,1-5H3
InChIKeyZMGUMFWNBOAICM-UHFFFAOYSA-N
XLogP6.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.32
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-decylcyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(2-decylcyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 102159364) is 2-(2-decylcyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(2-decylcyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(2-decylcyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCCCCCCCCCC1CC1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-(2-decylcyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is ZMGUMFWNBOAICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37BO2/c1-6-7-8-9-10-11-12-13-14-16-15-17(16)20-21-18(2,3)19(4,5)22-20/h16-17H,6-15H2,1-5H3.
What are the key properties of 2-(2-decylcyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(2-decylcyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 308.32 g/mol, XLogP of 6.00, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-decylcyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 102159364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).