2-(3-cyclopropyl-2-methylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C13H25BO2 — CID 140824906

IUPAC2-(3-cyclopropyl-2-methylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(CB1OC(C)(C)C(C)(C)O1)CC1CC1
InChIInChI=1S/C13H25BO2/c1-10(8-11-6-7-11)9-14-15-12(2,3)13(4,5)16-14/h10-11H,6-9H2,1-5H3
InChIKeyGSMPYHSSUKKRNK-UHFFFAOYSA-N
MW224.15 g/mol
LogP3.51
Rot. Bonds4

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

2-(3-cyclopropyl-2-methylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 140824906) has the molecular formula C13H25BO2 and a molecular weight of 224.15 g/mol. Its IUPAC name is 2-(3-cyclopropyl-2-methylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(3-cyclopropyl-2-methylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID140824906
Molecular FormulaC13H25BO2
Molecular Weight224.15 g/mol
Exact Mass224.19
IUPAC Name2-(3-cyclopropyl-2-methylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(CB1OC(C)(C)C(C)(C)O1)CC1CC1
InChIInChI=1S/C13H25BO2/c1-10(8-11-6-7-11)9-14-15-12(2,3)13(4,5)16-14/h10-11H,6-9H2,1-5H3
InChIKeyGSMPYHSSUKKRNK-UHFFFAOYSA-N
XLogP3.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.15
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-tetramethyl-2-[(2S)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-2-yl]-1,3,2-dioxaborolane
CID 170898250
1-propan-2-yl-4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]piperidine
CID 155892152
2-[(E)-3-cyclopropylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140824914
4,4,5,5-tetramethyl-2-[(E)-4-methylpent-2-enyl]-1,3,2-dioxaborolane
CID 174097327
chloro-methyl-propan-2-yloxy-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]silane
CID 102217843
2-[fluoro-[4-(2-methylpropyl)cyclohexylidene]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171114248
ethane;[(2S)-2-methylbutyl]cyclopropane;molecular hydrogen
CID 145112018
(2R,4S)-4,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol
CID 170900106
4,4,5,5-tetramethyl-2-[4-[4-(2-methylpropyl)cyclohexyl]cyclohexen-1-yl]-1,3,2-dioxaborolane
CID 140748247
4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane
CID 164967588
4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]butyl]-1,3,2-dioxaborolane
CID 164680836
2-[(2R)-2-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138984256

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-2-methylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(3-cyclopropyl-2-methylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 140824906) is 2-(3-cyclopropyl-2-methylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(3-cyclopropyl-2-methylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(3-cyclopropyl-2-methylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC(CB1OC(C)(C)C(C)(C)O1)CC1CC1.
What is the InChIKey of 2-(3-cyclopropyl-2-methylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is GSMPYHSSUKKRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BO2/c1-10(8-11-6-7-11)9-14-15-12(2,3)13(4,5)16-14/h10-11H,6-9H2,1-5H3.
What are the key properties of 2-(3-cyclopropyl-2-methylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(3-cyclopropyl-2-methylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 224.15 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-2-methylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 140824906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).