3-methylbutylboronic acid

3-methylbutylboronic acid

CAS: 98139-72-1

Formula: C5H13BO2

SMILES: CC(C)CCB(O)O

IUPAC: (3-methylbutyl)boronic acid

InChI: InChI=1S/C5H13BO2/c1-5(2)3-4-6(7)8/h5,7-8H,3-4H2,1-2H3

Composition: C (51.79%), H (11.30%), B (9.32%), O (27.59%)

Molar Mass: 115.97

Atom Count: 21

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	116.10086
Formal Charge	0
FSP3	1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	UVMWVBMFEDQYRW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	29.26
Topological Polar Surface Area	40.46
Polarizability	13.16
Ring Count	0
Rotatable Bond Count	3

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