1-tert-butyl-2-ethyl-5-propan-2-yl-4-propan-2-yloxybenzene;1-ethyl-2-methyl-4-propan-2-yl-5-propan-2-yloxybenzene

C33H54O2 — CID 158446032

IUPAC1-tert-butyl-2-ethyl-5-propan-2-yl-4-propan-2-yloxybenzene;1-ethyl-2-methyl-4-propan-2-yl-5-propan-2-yloxybenzene
SMILESCCc1cc(OC(C)C)c(C(C)C)cc1C.CCc1cc(OC(C)C)c(C(C)C)cc1C(C)(C)C
InChIInChI=1S/C18H30O.C15H24O/c1-9-14-10-17(19-13(4)5)15(12(2)3)11-16(14)18(6,7)8;1-7-13-9-15(16-11(4)5)14(10(2)3)8-12(13)6/h10-13H,9H2,1-8H3;8-11H,7H2,1-6H3
InChIKeyHDKFDRBAJGTWLX-UHFFFAOYSA-N
MW482.79 g/mol
LogP9.93
Rot. Bonds8

About 1-tert-butyl-2-ethyl-5-propan-2-yl-4-propan-2-yloxybenzene;1-ethyl-2-methyl-4-propan-2-yl-5-propan-2-yloxybenzene

1-tert-butyl-2-ethyl-5-propan-2-yl-4-propan-2-yloxybenzene;1-ethyl-2-methyl-4-propan-2-yl-5-propan-2-yloxybenzene (PubChem CID 158446032) has the molecular formula C33H54O2 and a molecular weight of 482.79 g/mol. Its IUPAC name is 1-tert-butyl-2-ethyl-5-propan-2-yl-4-propan-2-yloxybenzene;1-ethyl-2-methyl-4-propan-2-yl-5-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-tert-butyl-2-ethyl-5-propan-2-yl-4-propan-2-yloxybenzene;1-ethyl-2-methyl-4-propan-2-yl-5-propan-2-yloxybenzene
PubChem CID158446032
Molecular FormulaC33H54O2
Molecular Weight482.79 g/mol
Exact Mass482.41
IUPAC Name1-tert-butyl-2-ethyl-5-propan-2-yl-4-propan-2-yloxybenzene;1-ethyl-2-methyl-4-propan-2-yl-5-propan-2-yloxybenzene
SMILESCCc1cc(OC(C)C)c(C(C)C)cc1C.CCc1cc(OC(C)C)c(C(C)C)cc1C(C)(C)C
InChIInChI=1S/C18H30O.C15H24O/c1-9-14-10-17(19-13(4)5)15(12(2)3)11-16(14)18(6,7)8;1-7-13-9-15(16-11(4)5)14(10(2)3)8-12(13)6/h10-13H,9H2,1-8H3;8-11H,7H2,1-6H3
InChIKeyHDKFDRBAJGTWLX-UHFFFAOYSA-N
XLogP9.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.79
LogP ≤ 59.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-ethyl-5-propan-2-yl-4-propan-2-yloxybenzene;1-ethyl-2-methyl-4-propan-2-yl-5-propan-2-yloxybenzene?
The IUPAC name of 1-tert-butyl-2-ethyl-5-propan-2-yl-4-propan-2-yloxybenzene;1-ethyl-2-methyl-4-propan-2-yl-5-propan-2-yloxybenzene (CID 158446032) is 1-tert-butyl-2-ethyl-5-propan-2-yl-4-propan-2-yloxybenzene;1-ethyl-2-methyl-4-propan-2-yl-5-propan-2-yloxybenzene.
What is the SMILES notation for 1-tert-butyl-2-ethyl-5-propan-2-yl-4-propan-2-yloxybenzene;1-ethyl-2-methyl-4-propan-2-yl-5-propan-2-yloxybenzene?
The canonical SMILES for 1-tert-butyl-2-ethyl-5-propan-2-yl-4-propan-2-yloxybenzene;1-ethyl-2-methyl-4-propan-2-yl-5-propan-2-yloxybenzene is CCc1cc(OC(C)C)c(C(C)C)cc1C.CCc1cc(OC(C)C)c(C(C)C)cc1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-ethyl-5-propan-2-yl-4-propan-2-yloxybenzene;1-ethyl-2-methyl-4-propan-2-yl-5-propan-2-yloxybenzene?
The InChIKey is HDKFDRBAJGTWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O.C15H24O/c1-9-14-10-17(19-13(4)5)15(12(2)3)11-16(14)18(6,7)8;1-7-13-9-15(16-11(4)5)14(10(2)3)8-12(13)6/h10-13H,9H2,1-8H3;8-11H,7H2,1-6H3.
What are the key properties of 1-tert-butyl-2-ethyl-5-propan-2-yl-4-propan-2-yloxybenzene;1-ethyl-2-methyl-4-propan-2-yl-5-propan-2-yloxybenzene?
1-tert-butyl-2-ethyl-5-propan-2-yl-4-propan-2-yloxybenzene;1-ethyl-2-methyl-4-propan-2-yl-5-propan-2-yloxybenzene has a molecular weight of 482.79 g/mol, XLogP of 9.93, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-ethyl-5-propan-2-yl-4-propan-2-yloxybenzene;1-ethyl-2-methyl-4-propan-2-yl-5-propan-2-yloxybenzene is sourced from PubChem (CID 158446032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).