hexadecanedioic acid

hexadecanedioic acid

CAS: 505-54-4

Formula: C16H30O4

SMILES: OC(=O)CCCCCCCCCCCCCCC(O)=O

IUPAC: hexadecanedioic acid

InChI: InChI=1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20)

Composition: C (67.10%), H (10.56%), O (22.34%)

Molar Mass: 286.412

Atom Count: 50

Heavy Atom Count: 20

Properties

Properties

Common Names	a,w-tetradecanedicarboxylate; thapsate; thapsic acid
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	286.214409446
Formal Charge	0
FSP3	0.87
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	QQHJDPROMQRDLA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.75
Topological Polar Surface Area	74.6
Polarizability	31.23
Ring Count	0
Rotatable Bond Count	15

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