3-(3-methylbutoxy)benzaldehyde

3-(3-methylbutoxy)benzaldehyde

CAS: 77422-25-4

Formula: C12H16O2

SMILES: CC(C)CCOC1=CC=CC(C=O)=C1

IUPAC: 3-(3-methylbutoxy)benzaldehyde

InChI: InChI=1S/C12H16O2/c1-10(2)6-7-14-12-5-3-4-11(8-12)9-13/h3-5,8-10H,6-7H2,1-2H3

Composition: C (74.97%), H (8.39%), O (16.64%)

Molar Mass: 192.258

Atom Count: 30

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	192.115029755
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	BTNXPSPSJDQCEA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.53
Topological Polar Surface Area	26.3
Polarizability	22.11
Ring Count	1
Rotatable Bond Count	5

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