1-(2,5-dimethylheptan-4-yl)-4-(1-ethoxyethoxy)benzene

C19H32O2 — CID 123503822

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

About 1-(2,5-dimethylheptan-4-yl)-4-(1-ethoxyethoxy)benzene

1-(2,5-dimethylheptan-4-yl)-4-(1-ethoxyethoxy)benzene (PubChem CID 123503822) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 1-(2,5-dimethylheptan-4-yl)-4-(1-ethoxyethoxy)benzene.

Molecular Properties

Compound Name1-(2,5-dimethylheptan-4-yl)-4-(1-ethoxyethoxy)benzene
PubChem CID123503822
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name1-(2,5-dimethylheptan-4-yl)-4-(1-ethoxyethoxy)benzene
SMILESCCOC(C)Oc1ccc(C(CC(C)C)C(C)CC)cc1
InChIInChI=1S/C19H32O2/c1-7-15(5)19(13-14(3)4)17-9-11-18(12-10-17)21-16(6)20-8-2/h9-12,14-16,19H,7-8,13H2,1-6H3
InChIKeyAFPNKMATRCOBHA-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

1,4-bis(1-ethoxyethoxy)benzene
CID 10934047
1,4-bis[bis[4-(1-ethoxyethoxy)phenyl]methyl]benzene
CID 90276539
1-(1-ethoxyethoxy)-4-(2,2,5-trimethylheptan-3-yl)benzene
CID 123183893
4-(1-ethoxyethoxy)aniline
CID 139920192
1-(2,6-dimethylheptan-4-yl)-4-(1-ethoxypropoxy)benzene
CID 123693664
2-amino-1-[4-(1-ethoxyethoxy)phenyl]ethanol
CID 11379114
4-[4-[4-(1-ethoxyethoxy)phenyl]hexan-2-yl]phenol
CID 23556512
3,3-bis[4-(1-ethoxyethoxy)phenyl]-2-hydroxypropanoic acid
CID 57190095
1-(1-ethoxyethoxy)-4-[4-(1-ethoxyethoxy)phenyl]tellanylbenzene
CID 140901390
2-[3-[4-(1-ethoxyethoxy)phenyl]-1-(4-hydroxyphenyl)pentyl]-3-methylbutanedinitrile
CID 20725431
1-[1,1-bis[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene
CID 22726285
1-(1-ethoxy-2-methylpropoxy)-4-(5-methylhexan-3-yl)benzene
CID 144963504

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylheptan-4-yl)-4-(1-ethoxyethoxy)benzene?
The IUPAC name of 1-(2,5-dimethylheptan-4-yl)-4-(1-ethoxyethoxy)benzene (CID 123503822) is 1-(2,5-dimethylheptan-4-yl)-4-(1-ethoxyethoxy)benzene.
What is the SMILES notation for 1-(2,5-dimethylheptan-4-yl)-4-(1-ethoxyethoxy)benzene?
The canonical SMILES for 1-(2,5-dimethylheptan-4-yl)-4-(1-ethoxyethoxy)benzene is CCOC(C)Oc1ccc(C(CC(C)C)C(C)CC)cc1.
What is the InChIKey of 1-(2,5-dimethylheptan-4-yl)-4-(1-ethoxyethoxy)benzene?
The InChIKey is AFPNKMATRCOBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-7-15(5)19(13-14(3)4)17-9-11-18(12-10-17)21-16(6)20-8-2/h9-12,14-16,19H,7-8,13H2,1-6H3.
What are the key properties of 1-(2,5-dimethylheptan-4-yl)-4-(1-ethoxyethoxy)benzene?
1-(2,5-dimethylheptan-4-yl)-4-(1-ethoxyethoxy)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-(2,5-dimethylheptan-4-yl)-4-(1-ethoxyethoxy)benzene is sourced from PubChem (CID 123503822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).