1-ethyl-3-propan-2-yl-2-propan-2-yloxy-5-(2,3,3-trimethylbutan-2-yl)benzene

C21H36O — CID 159608044

IUPAC1-ethyl-3-propan-2-yl-2-propan-2-yloxy-5-(2,3,3-trimethylbutan-2-yl)benzene
SMILESCCc1cc(C(C)(C)C(C)(C)C)cc(C(C)C)c1OC(C)C
InChIInChI=1S/C21H36O/c1-11-16-12-17(21(9,10)20(6,7)8)13-18(14(2)3)19(16)22-15(4)5/h12-15H,11H2,1-10H3
InChIKeyVHVKPNUBEGSWPI-UHFFFAOYSA-N
MW304.52 g/mol
LogP6.48
Rot. Bonds5

About 1-ethyl-3-propan-2-yl-2-propan-2-yloxy-5-(2,3,3-trimethylbutan-2-yl)benzene

1-ethyl-3-propan-2-yl-2-propan-2-yloxy-5-(2,3,3-trimethylbutan-2-yl)benzene (PubChem CID 159608044) has the molecular formula C21H36O and a molecular weight of 304.52 g/mol. Its IUPAC name is 1-ethyl-3-propan-2-yl-2-propan-2-yloxy-5-(2,3,3-trimethylbutan-2-yl)benzene.

Molecular Properties

Compound Name1-ethyl-3-propan-2-yl-2-propan-2-yloxy-5-(2,3,3-trimethylbutan-2-yl)benzene
PubChem CID159608044
Molecular FormulaC21H36O
Molecular Weight304.52 g/mol
Exact Mass304.28
IUPAC Name1-ethyl-3-propan-2-yl-2-propan-2-yloxy-5-(2,3,3-trimethylbutan-2-yl)benzene
SMILESCCc1cc(C(C)(C)C(C)(C)C)cc(C(C)C)c1OC(C)C
InChIInChI=1S/C21H36O/c1-11-16-12-17(21(9,10)20(6,7)8)13-18(14(2)3)19(16)22-15(4)5/h12-15H,11H2,1-10H3
InChIKeyVHVKPNUBEGSWPI-UHFFFAOYSA-N
XLogP6.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-propan-2-yl-2-propan-2-yloxy-5-(2,3,3-trimethylbutan-2-yl)benzene?
The IUPAC name of 1-ethyl-3-propan-2-yl-2-propan-2-yloxy-5-(2,3,3-trimethylbutan-2-yl)benzene (CID 159608044) is 1-ethyl-3-propan-2-yl-2-propan-2-yloxy-5-(2,3,3-trimethylbutan-2-yl)benzene.
What is the SMILES notation for 1-ethyl-3-propan-2-yl-2-propan-2-yloxy-5-(2,3,3-trimethylbutan-2-yl)benzene?
The canonical SMILES for 1-ethyl-3-propan-2-yl-2-propan-2-yloxy-5-(2,3,3-trimethylbutan-2-yl)benzene is CCc1cc(C(C)(C)C(C)(C)C)cc(C(C)C)c1OC(C)C.
What is the InChIKey of 1-ethyl-3-propan-2-yl-2-propan-2-yloxy-5-(2,3,3-trimethylbutan-2-yl)benzene?
The InChIKey is VHVKPNUBEGSWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O/c1-11-16-12-17(21(9,10)20(6,7)8)13-18(14(2)3)19(16)22-15(4)5/h12-15H,11H2,1-10H3.
What are the key properties of 1-ethyl-3-propan-2-yl-2-propan-2-yloxy-5-(2,3,3-trimethylbutan-2-yl)benzene?
1-ethyl-3-propan-2-yl-2-propan-2-yloxy-5-(2,3,3-trimethylbutan-2-yl)benzene has a molecular weight of 304.52 g/mol, XLogP of 6.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-propan-2-yl-2-propan-2-yloxy-5-(2,3,3-trimethylbutan-2-yl)benzene is sourced from PubChem (CID 159608044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).