1-butan-2-yl-4-(2,4,4-trimethylpentan-2-yloxy)benzene

C18H30O — CID 129038236

IUPAC1-butan-2-yl-4-(2,4,4-trimethylpentan-2-yloxy)benzene
SMILESCCC(C)c1ccc(OC(C)(C)CC(C)(C)C)cc1
InChIInChI=1S/C18H30O/c1-8-14(2)15-9-11-16(12-10-15)19-18(6,7)13-17(3,4)5/h9-12,14H,8,13H2,1-7H3
InChIKeyZNALYYJJFYNCIB-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.79
Rot. Bonds5

About 1-butan-2-yl-4-(2,4,4-trimethylpentan-2-yloxy)benzene

1-butan-2-yl-4-(2,4,4-trimethylpentan-2-yloxy)benzene (PubChem CID 129038236) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-butan-2-yl-4-(2,4,4-trimethylpentan-2-yloxy)benzene.

Molecular Properties

Compound Name1-butan-2-yl-4-(2,4,4-trimethylpentan-2-yloxy)benzene
PubChem CID129038236
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name1-butan-2-yl-4-(2,4,4-trimethylpentan-2-yloxy)benzene
SMILESCCC(C)c1ccc(OC(C)(C)CC(C)(C)C)cc1
InChIInChI=1S/C18H30O/c1-8-14(2)15-9-11-16(12-10-15)19-18(6,7)13-17(3,4)5/h9-12,14H,8,13H2,1-7H3
InChIKeyZNALYYJJFYNCIB-UHFFFAOYSA-N
XLogP5.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butan-2-yl-4-(2-ethoxypropan-2-yloxy)benzene
CID 21053289
1-butan-2-yl-4-(3,3-dimethylbutan-2-yloxy)benzene
CID 159159765
1-butan-2-yl-4-(3,3-dimethylbutoxy)benzene
CID 70947393
1-(2-methylbutan-2-yloxy)-4-propan-2-ylbenzene
CID 118631923
1-butan-2-yl-4-propan-2-yloxybenzene
CID 18730967
(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine
CID 43198098
1-[(2-methylpropan-2-yl)oxy]-4-(4-phenylhexan-2-yl)benzene
CID 134214907
3-(4-butan-2-ylphenoxy)-2,2-dimethylpropane-1-thiol
CID 107669469
butan-2-ylcyclopentane;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;4-butan-2-ylphenol;carbanide;cyclopentane;ruthenium(2+)
CID 162289030
2,2-dimethylpropyl 4-butan-2-ylbenzenesulfonate
CID 18731090
1-(4-butan-2-ylphenyl)-2-methylpropan-2-amine
CID 82126382
1-(4-butan-2-ylphenyl)-3,3-dimethylbutan-1-amine
CID 43103849

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(2,4,4-trimethylpentan-2-yloxy)benzene?
The IUPAC name of 1-butan-2-yl-4-(2,4,4-trimethylpentan-2-yloxy)benzene (CID 129038236) is 1-butan-2-yl-4-(2,4,4-trimethylpentan-2-yloxy)benzene.
What is the SMILES notation for 1-butan-2-yl-4-(2,4,4-trimethylpentan-2-yloxy)benzene?
The canonical SMILES for 1-butan-2-yl-4-(2,4,4-trimethylpentan-2-yloxy)benzene is CCC(C)c1ccc(OC(C)(C)CC(C)(C)C)cc1.
What is the InChIKey of 1-butan-2-yl-4-(2,4,4-trimethylpentan-2-yloxy)benzene?
The InChIKey is ZNALYYJJFYNCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-8-14(2)15-9-11-16(12-10-15)19-18(6,7)13-17(3,4)5/h9-12,14H,8,13H2,1-7H3.
What are the key properties of 1-butan-2-yl-4-(2,4,4-trimethylpentan-2-yloxy)benzene?
1-butan-2-yl-4-(2,4,4-trimethylpentan-2-yloxy)benzene has a molecular weight of 262.44 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(2,4,4-trimethylpentan-2-yloxy)benzene is sourced from PubChem (CID 129038236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).