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1-methoxy-4-(pentan-2-yl)benzene

1-methoxy-4-(pentan-2-yl)benzene

CAS: 4125-32-0

Formula: C12H18O

SMILES: CCCC(C)C1=CC=C(OC)C=C1

IUPAC: 1-methoxy-4-(pentan-2-yl)benzene

InChI: InChI=1/C12H18O/c1-4-5-10(2)11-6-8-12(13-3)9-7-11/h6-10H,4-5H2,1-3H3

Composition: C (80.85%), H (10.18%), O (8.97%)

Molar Mass: 178.275

Atom Count: 31

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 178.1357652
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey YDVIPDKKTFEYMK-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.91
Topological Polar Surface Area 9.23
Polarizability 22.01
Ring Count 1
Rotatable Bond Count 4

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