methyl 3,3-dimethylbutanoate

methyl 3,3-dimethylbutanoate

CAS: 10250-48-3

Formula: C7H14O2

SMILES: COC(=O)CC(C)(C)C

IUPAC: methyl 3,3-dimethylbutanoate

InChI: InChI=1S/C7H14O2/c1-7(2,3)5-6(8)9-4/h5H2,1-4H3

Composition: C (64.58%), H (10.84%), O (24.58%)

Molar Mass: 130.187

Atom Count: 23

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	130.099379691
Formal Charge	0
FSP3	0.86
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	DXBOTVWRXLQVMG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.66
Topological Polar Surface Area	26.3
Polarizability	14.39
Ring Count	0
Rotatable Bond Count	3

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