4-hexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carbaldehyde

4-hexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carbaldehyde

CAS: 1402132-40-4

Formula: C17H27BO3S

SMILES: CCCCCCC1=C(SC(C=O)=C1)B1OC(C)(C)C(C)(C)O1

IUPAC: 4-hexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carbaldehyde

InChI: InChI=1S/C17H27BO3S/c1-6-7-8-9-10-13-11-14(12-19)22-15(13)18-20-16(2,3)17(4,5)21-18/h11-12H,6-10H2,1-5H3

Composition: C (63.36%), H (8.45%), B (3.35%), O (14.89%), S (9.95%)

Molar Mass: 322.27

Atom Count: 49

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	322.177396
Formal Charge	0
FSP3	0.71
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	PQLBLAYGDQUMCQ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	86.39
Topological Polar Surface Area	35.53
Polarizability	35.54
Ring Count	2
Rotatable Bond Count	7

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