1,3-dimethyl-2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxy-5-(2,4,4-trimethylpentan-2-yl)benzene

C24H42O2 — CID 123676753

IUPAC1,3-dimethyl-2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxy-5-(2,4,4-trimethylpentan-2-yl)benzene
SMILESCc1cc(C(C)(C)CC(C)(C)C)cc(C)c1OC(C)(C)CCOC(C)C
InChIInChI=1S/C24H42O2/c1-17(2)25-13-12-24(10,11)26-21-18(3)14-20(15-19(21)4)23(8,9)16-22(5,6)7/h14-15,17H,12-13,16H2,1-11H3
InChIKeyYXZDUCIYAWBVLE-UHFFFAOYSA-N
MW362.60 g/mol
LogP6.99
Rot. Bonds8

About 1,3-dimethyl-2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxy-5-(2,4,4-trimethylpentan-2-yl)benzene

1,3-dimethyl-2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxy-5-(2,4,4-trimethylpentan-2-yl)benzene (PubChem CID 123676753) has the molecular formula C24H42O2 and a molecular weight of 362.60 g/mol. Its IUPAC name is 1,3-dimethyl-2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxy-5-(2,4,4-trimethylpentan-2-yl)benzene.

Molecular Properties

Compound Name1,3-dimethyl-2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxy-5-(2,4,4-trimethylpentan-2-yl)benzene
PubChem CID123676753
Molecular FormulaC24H42O2
Molecular Weight362.60 g/mol
Exact Mass362.32
IUPAC Name1,3-dimethyl-2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxy-5-(2,4,4-trimethylpentan-2-yl)benzene
SMILESCc1cc(C(C)(C)CC(C)(C)C)cc(C)c1OC(C)(C)CCOC(C)C
InChIInChI=1S/C24H42O2/c1-17(2)25-13-12-24(10,11)26-21-18(3)14-20(15-19(21)4)23(8,9)16-22(5,6)7/h14-15,17H,12-13,16H2,1-11H3
InChIKeyYXZDUCIYAWBVLE-UHFFFAOYSA-N
XLogP6.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxy-5-(2,4,4-trimethylpentan-2-yl)benzene?
The IUPAC name of 1,3-dimethyl-2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxy-5-(2,4,4-trimethylpentan-2-yl)benzene (CID 123676753) is 1,3-dimethyl-2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxy-5-(2,4,4-trimethylpentan-2-yl)benzene.
What is the SMILES notation for 1,3-dimethyl-2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxy-5-(2,4,4-trimethylpentan-2-yl)benzene?
The canonical SMILES for 1,3-dimethyl-2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxy-5-(2,4,4-trimethylpentan-2-yl)benzene is Cc1cc(C(C)(C)CC(C)(C)C)cc(C)c1OC(C)(C)CCOC(C)C.
What is the InChIKey of 1,3-dimethyl-2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxy-5-(2,4,4-trimethylpentan-2-yl)benzene?
The InChIKey is YXZDUCIYAWBVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O2/c1-17(2)25-13-12-24(10,11)26-21-18(3)14-20(15-19(21)4)23(8,9)16-22(5,6)7/h14-15,17H,12-13,16H2,1-11H3.
What are the key properties of 1,3-dimethyl-2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxy-5-(2,4,4-trimethylpentan-2-yl)benzene?
1,3-dimethyl-2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxy-5-(2,4,4-trimethylpentan-2-yl)benzene has a molecular weight of 362.60 g/mol, XLogP of 6.99, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxy-5-(2,4,4-trimethylpentan-2-yl)benzene is sourced from PubChem (CID 123676753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).