2-[(1S)-2-cyclopropylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C12H21BO2 — CID 74788899

IUPAC2-[(1S)-2-cyclopropylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB([C@H]2CC2C2CC2)OC1(C)C
InChIInChI=1S/C12H21BO2/c1-11(2)12(3,4)15-13(14-11)10-7-9(10)8-5-6-8/h8-10H,5-7H2,1-4H3/t9?,10-/m0/s1
InChIKeyMFOCKZYRZAVWDO-AXDSSHIGSA-N
MW208.11 g/mol
LogP2.88
Rot. Bonds2

About 2-[(1S)-2-cyclopropylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(1S)-2-cyclopropylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 74788899) has the molecular formula C12H21BO2 and a molecular weight of 208.11 g/mol. Its IUPAC name is 2-[(1S)-2-cyclopropylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(1S)-2-cyclopropylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID74788899
Molecular FormulaC12H21BO2
Molecular Weight208.11 g/mol
Exact Mass208.16
IUPAC Name2-[(1S)-2-cyclopropylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB([C@H]2CC2C2CC2)OC1(C)C
InChIInChI=1S/C12H21BO2/c1-11(2)12(3,4)15-13(14-11)10-7-9(10)8-5-6-8/h8-10H,5-7H2,1-4H3/t9?,10-/m0/s1
InChIKeyMFOCKZYRZAVWDO-AXDSSHIGSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.11
LogP ≤ 52.88
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-[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]piperidine;hydrochloride
CID 155859006
4,4,5,5-tetramethyl-2-[(1S,2R)-2-methylcyclopentyl]-1,3,2-dioxaborolane
CID 101198944
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-amine
CID 105482748
2-[(1R,2R)-2-(methoxymethyl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 67413514
2-[(1R,2R)-2-butylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15148448
[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methoxysilane
CID 175414609
methyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylate
CID 140644354
cis-ethyl (1S,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropane-1-carboxylate
CID 99866892
4,4,5,5-tetramethyl-2-(1-methyl-2-bicyclo[1.1.1]pentanyl)-1,3,2-dioxaborolane
CID 169204381
2-[(1R)-2-butylcyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 154712564
4,4,5,5-tetramethyl-2-[(1S,2S)-2-pentylcyclopropyl]-1,3,2-dioxaborolane
CID 102005638
CID 137258545
CID 137258545

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2-cyclopropylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(1S)-2-cyclopropylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 74788899) is 2-[(1S)-2-cyclopropylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(1S)-2-cyclopropylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(1S)-2-cyclopropylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB([C@H]2CC2C2CC2)OC1(C)C.
What is the InChIKey of 2-[(1S)-2-cyclopropylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is MFOCKZYRZAVWDO-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H21BO2/c1-11(2)12(3,4)15-13(14-11)10-7-9(10)8-5-6-8/h8-10H,5-7H2,1-4H3/t9?,10-/m0/s1.
What are the key properties of 2-[(1S)-2-cyclopropylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(1S)-2-cyclopropylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 208.11 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2-cyclopropylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 74788899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).