ethane;(2-methyl-2-propan-2-yloxypropyl)benzene

C15H26O — CID 156811529

IUPACethane;(2-methyl-2-propan-2-yloxypropyl)benzene
SMILESCC.CC(C)OC(C)(C)Cc1ccccc1
InChIInChI=1S/C13H20O.C2H6/c1-11(2)14-13(3,4)10-12-8-6-5-7-9-12;1-2/h5-9,11H,10H2,1-4H3;1-2H3
InChIKeyIRQAPISNAPBVCL-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.46
Rot. Bonds4

About ethane;(2-methyl-2-propan-2-yloxypropyl)benzene

ethane;(2-methyl-2-propan-2-yloxypropyl)benzene (PubChem CID 156811529) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is ethane;(2-methyl-2-propan-2-yloxypropyl)benzene.

Molecular Properties

Compound Nameethane;(2-methyl-2-propan-2-yloxypropyl)benzene
PubChem CID156811529
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Nameethane;(2-methyl-2-propan-2-yloxypropyl)benzene
SMILESCC.CC(C)OC(C)(C)Cc1ccccc1
InChIInChI=1S/C13H20O.C2H6/c1-11(2)14-13(3,4)10-12-8-6-5-7-9-12;1-2/h5-9,11H,10H2,1-4H3;1-2H3
InChIKeyIRQAPISNAPBVCL-UHFFFAOYSA-N
XLogP4.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;(2-methyl-2-propan-2-yloxypropyl)benzene?
The IUPAC name of ethane;(2-methyl-2-propan-2-yloxypropyl)benzene (CID 156811529) is ethane;(2-methyl-2-propan-2-yloxypropyl)benzene.
What is the SMILES notation for ethane;(2-methyl-2-propan-2-yloxypropyl)benzene?
The canonical SMILES for ethane;(2-methyl-2-propan-2-yloxypropyl)benzene is CC.CC(C)OC(C)(C)Cc1ccccc1.
What is the InChIKey of ethane;(2-methyl-2-propan-2-yloxypropyl)benzene?
The InChIKey is IRQAPISNAPBVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O.C2H6/c1-11(2)14-13(3,4)10-12-8-6-5-7-9-12;1-2/h5-9,11H,10H2,1-4H3;1-2H3.
What are the key properties of ethane;(2-methyl-2-propan-2-yloxypropyl)benzene?
ethane;(2-methyl-2-propan-2-yloxypropyl)benzene has a molecular weight of 222.37 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2-methyl-2-propan-2-yloxypropyl)benzene is sourced from PubChem (CID 156811529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).