2,2-bis(2-methylpropyl)propane-1,3-diol

2,2-bis(2-methylpropyl)propane-1,3-diol

CAS: 10547-96-3

Formula: C11H24O2

SMILES: CC(C)CC(CO)(CO)CC(C)C

IUPAC: 2,2-bis(2-methylpropyl)propane-1,3-diol

InChI: InChI=1S/C11H24O2/c1-9(2)5-11(7-12,8-13)6-10(3)4/h9-10,12-13H,5-8H2,1-4H3

Composition: C (70.16%), H (12.85%), O (16.99%)

Molar Mass: 188.311

Atom Count: 37

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	188.177630013
Formal Charge	0
FSP3	1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	PTRCHMOHGGDNIJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.68
Topological Polar Surface Area	40.46
Polarizability	22.23
Ring Count	0
Rotatable Bond Count	6

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