1-(1-ethoxy-2-methylpropoxy)-4-(5-methylhexan-3-yl)benzene

C19H32O2 — CID 144963504

IUPAC1-(1-ethoxy-2-methylpropoxy)-4-(5-methylhexan-3-yl)benzene
SMILESCCOC(Oc1ccc(C(CC)CC(C)C)cc1)C(C)C
InChIInChI=1S/C19H32O2/c1-7-16(13-14(3)4)17-9-11-18(12-10-17)21-19(15(5)6)20-8-2/h9-12,14-16,19H,7-8,13H2,1-6H3
InChIKeyYAGPUNOGBGZYLF-UHFFFAOYSA-N
MW292.46 g/mol
LogP5.62
Rot. Bonds9

About 1-(1-ethoxy-2-methylpropoxy)-4-(5-methylhexan-3-yl)benzene

1-(1-ethoxy-2-methylpropoxy)-4-(5-methylhexan-3-yl)benzene (PubChem CID 144963504) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 1-(1-ethoxy-2-methylpropoxy)-4-(5-methylhexan-3-yl)benzene.

Molecular Properties

Compound Name1-(1-ethoxy-2-methylpropoxy)-4-(5-methylhexan-3-yl)benzene
PubChem CID144963504
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name1-(1-ethoxy-2-methylpropoxy)-4-(5-methylhexan-3-yl)benzene
SMILESCCOC(Oc1ccc(C(CC)CC(C)C)cc1)C(C)C
InChIInChI=1S/C19H32O2/c1-7-16(13-14(3)4)17-9-11-18(12-10-17)21-19(15(5)6)20-8-2/h9-12,14-16,19H,7-8,13H2,1-6H3
InChIKeyYAGPUNOGBGZYLF-UHFFFAOYSA-N
XLogP5.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.46
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2-cyclohexylethoxy)-2-methylpropoxy]-4-(5-methylhexan-3-yl)benzene
CID 144963476
1-(2,6-dimethylheptan-4-yl)-4-(1-ethoxypropoxy)benzene
CID 123693664
1-(1-ethoxy-2-methylpropoxy)-4-(2,2,4-trimethylpentan-3-yl)benzene
CID 123686379
1-(5-methylhexan-3-yl)-4-phenoxybenzene
CID 144899033
1-(5-methylhexan-3-yl)-4-(1-phenylsulfanyloxyethoxy)benzene
CID 123706540
1-butan-2-yl-4-(2-methyl-1-propoxypropoxy)benzene
CID 58900963
4-[4-[4-(1-ethoxyethoxy)phenyl]hexan-2-yl]phenol
CID 23556512
1-(2,5-dimethylheptan-4-yl)-4-(1-ethoxyethoxy)benzene
CID 123503822
1-(1-chloro-4-methylpentan-2-yl)-4-ethoxybenzene
CID 112508540
1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;methane
CID 162050346
1-(1-ethoxyethoxy)-4-(2,2,5-trimethylheptan-3-yl)benzene
CID 123183893
1,4-bis[bis[4-(1-ethoxyethoxy)phenyl]methyl]benzene
CID 90276539

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-2-methylpropoxy)-4-(5-methylhexan-3-yl)benzene?
The IUPAC name of 1-(1-ethoxy-2-methylpropoxy)-4-(5-methylhexan-3-yl)benzene (CID 144963504) is 1-(1-ethoxy-2-methylpropoxy)-4-(5-methylhexan-3-yl)benzene.
What is the SMILES notation for 1-(1-ethoxy-2-methylpropoxy)-4-(5-methylhexan-3-yl)benzene?
The canonical SMILES for 1-(1-ethoxy-2-methylpropoxy)-4-(5-methylhexan-3-yl)benzene is CCOC(Oc1ccc(C(CC)CC(C)C)cc1)C(C)C.
What is the InChIKey of 1-(1-ethoxy-2-methylpropoxy)-4-(5-methylhexan-3-yl)benzene?
The InChIKey is YAGPUNOGBGZYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-7-16(13-14(3)4)17-9-11-18(12-10-17)21-19(15(5)6)20-8-2/h9-12,14-16,19H,7-8,13H2,1-6H3.
What are the key properties of 1-(1-ethoxy-2-methylpropoxy)-4-(5-methylhexan-3-yl)benzene?
1-(1-ethoxy-2-methylpropoxy)-4-(5-methylhexan-3-yl)benzene has a molecular weight of 292.46 g/mol, XLogP of 5.62, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-2-methylpropoxy)-4-(5-methylhexan-3-yl)benzene is sourced from PubChem (CID 144963504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).