1,9-bis(6-methylheptyl) nonanedioate

1,9-bis(6-methylheptyl) nonanedioate

CAS: 26544-17-2

Formula: C25H48O4

SMILES: CC(C)CCCCCOC(=O)CCCCCCCC(=O)OCCCCCC(C)C

IUPAC: 1,9-bis(6-methylheptyl) nonanedioate

InChI: InChI=1S/C25H48O4/c1-22(2)16-10-8-14-20-28-24(26)18-12-6-5-7-13-19-25(27)29-21-15-9-11-17-23(3)4/h22-23H,5-21H2,1-4H3

Composition: C (72.77%), H (11.73%), O (15.51%)

Molar Mass: 412.655

Atom Count: 77

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	412.355260026
Formal Charge	0
FSP3	0.92
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	CYNJQGPDCDNZBL-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	120.53
Topological Polar Surface Area	52.6
Polarizability	48.3
Ring Count	0
Rotatable Bond Count	22

Suppliers

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<6 Days	26544-17-2		$135.70-$155.25$135.70$155.25