1-benzyl 8-methyl cubane-1,8-dicarboxylate

1-benzyl 8-methyl cubane-1,8-dicarboxylate

Formula: C18H16O4

SMILES: COC(=O)C12C3C4C1C1C2C3C41C(=O)OCC1=CC=CC=C1

IUPAC: 1-benzyl 8-methyl cubane-1,8-dicarboxylate

InChI: InChI=1S/C18H16O4/c1-21-15(19)17-9-12-10(17)14-11(17)13(9)18(12,14)16(20)22-7-8-5-3-2-4-6-8/h2-6,9-14H,7H2,1H3

Composition: C (72.96%), H (5.44%), O (21.60%)

Molar Mass: 296.322

Atom Count: 38

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	296.104858995
Formal Charge	0
FSP3	0.56
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	KPMLLNJYQQUGKJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.72
Topological Polar Surface Area	52.6
Polarizability	30.34
Ring Count	6
Rotatable Bond Count	6

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C18H16O4		Quote Only