1-tert-butyl-5-ethyl-3-propan-2-yl-2-propan-2-yloxybenzene

C18H30O — CID 159607362

IUPAC1-tert-butyl-5-ethyl-3-propan-2-yl-2-propan-2-yloxybenzene
SMILESCCc1cc(C(C)C)c(OC(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C18H30O/c1-9-14-10-15(12(2)3)17(19-13(4)5)16(11-14)18(6,7)8/h10-13H,9H2,1-8H3
InChIKeyHKPXIBMSMXIOKJ-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.46
Rot. Bonds4

About 1-tert-butyl-5-ethyl-3-propan-2-yl-2-propan-2-yloxybenzene

1-tert-butyl-5-ethyl-3-propan-2-yl-2-propan-2-yloxybenzene (PubChem CID 159607362) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-tert-butyl-5-ethyl-3-propan-2-yl-2-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-tert-butyl-5-ethyl-3-propan-2-yl-2-propan-2-yloxybenzene
PubChem CID159607362
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name1-tert-butyl-5-ethyl-3-propan-2-yl-2-propan-2-yloxybenzene
SMILESCCc1cc(C(C)C)c(OC(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C18H30O/c1-9-14-10-15(12(2)3)17(19-13(4)5)16(11-14)18(6,7)8/h10-13H,9H2,1-8H3
InChIKeyHKPXIBMSMXIOKJ-UHFFFAOYSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-ethyl-3-propan-2-yl-2-propan-2-yloxybenzene?
The IUPAC name of 1-tert-butyl-5-ethyl-3-propan-2-yl-2-propan-2-yloxybenzene (CID 159607362) is 1-tert-butyl-5-ethyl-3-propan-2-yl-2-propan-2-yloxybenzene.
What is the SMILES notation for 1-tert-butyl-5-ethyl-3-propan-2-yl-2-propan-2-yloxybenzene?
The canonical SMILES for 1-tert-butyl-5-ethyl-3-propan-2-yl-2-propan-2-yloxybenzene is CCc1cc(C(C)C)c(OC(C)C)c(C(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-5-ethyl-3-propan-2-yl-2-propan-2-yloxybenzene?
The InChIKey is HKPXIBMSMXIOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-9-14-10-15(12(2)3)17(19-13(4)5)16(11-14)18(6,7)8/h10-13H,9H2,1-8H3.
What are the key properties of 1-tert-butyl-5-ethyl-3-propan-2-yl-2-propan-2-yloxybenzene?
1-tert-butyl-5-ethyl-3-propan-2-yl-2-propan-2-yloxybenzene has a molecular weight of 262.44 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-ethyl-3-propan-2-yl-2-propan-2-yloxybenzene is sourced from PubChem (CID 159607362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).