tert-butyl hex-5-ynoate

tert-butyl hex-5-ynoate

CAS: 73448-14-3

Formula: C10H16O2

SMILES: CC(C)(C)OC(=O)CCCC#C

IUPAC: tert-butyl hex-5-ynoate

InChI: InChI=1S/C10H16O2/c1-5-6-7-8-9(11)12-10(2,3)4/h1H,6-8H2,2-4H3

Composition: C (71.39%), H (9.59%), O (19.02%)

Molar Mass: 168.236

Atom Count: 28

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	168.115029755
Formal Charge	0
FSP3	0.7
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	XHIPLUJCVSEZTN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.11
Topological Polar Surface Area	26.3
Polarizability	18.81
Ring Count	0
Rotatable Bond Count	5

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