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tert-butyl 7-iodoheptanoate

tert-butyl 7-iodoheptanoate

CAS: 54005-76-4

Formula: C11H21IO2

SMILES: CC(C)(C)OC(=O)CCCCCCI

IUPAC: tert-butyl 7-iodoheptanoate

InChI: InChI=1S/C11H21IO2/c1-11(2,3)14-10(13)8-6-4-5-7-9-12/h4-9H2,1-3H3

Composition: C (42.32%), H (6.78%), I (40.65%), O (10.25%)

Molar Mass: 312.191

Atom Count: 35

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 312.05862
Formal Charge 0
FSP3 0.91
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey XOJHORWRHKZWFH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.46
Topological Polar Surface Area 26.3
Polarizability 26.73
Ring Count 0
Rotatable Bond Count 8

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