1,3-di(propan-2-yl)-2-propan-2-yloxybenzene;ethoxyethane

C19H34O2 — CID 67998176

IUPAC1,3-di(propan-2-yl)-2-propan-2-yloxybenzene;ethoxyethane
SMILESCC(C)Oc1c(C(C)C)cccc1C(C)C.CCOCC
InChIInChI=1S/C15H24O.C4H10O/c1-10(2)13-8-7-9-14(11(3)4)15(13)16-12(5)6;1-3-5-4-2/h7-12H,1-6H3;3-4H2,1-2H3
InChIKeyPZJZXJIRTDKZKX-UHFFFAOYSA-N
MW294.48 g/mol
LogP5.76
Rot. Bonds6

About 1,3-di(propan-2-yl)-2-propan-2-yloxybenzene;ethoxyethane

1,3-di(propan-2-yl)-2-propan-2-yloxybenzene;ethoxyethane (PubChem CID 67998176) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)-2-propan-2-yloxybenzene;ethoxyethane.

Molecular Properties

Compound Name1,3-di(propan-2-yl)-2-propan-2-yloxybenzene;ethoxyethane
PubChem CID67998176
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name1,3-di(propan-2-yl)-2-propan-2-yloxybenzene;ethoxyethane
SMILESCC(C)Oc1c(C(C)C)cccc1C(C)C.CCOCC
InChIInChI=1S/C15H24O.C4H10O/c1-10(2)13-8-7-9-14(11(3)4)15(13)16-12(5)6;1-3-5-4-2/h7-12H,1-6H3;3-4H2,1-2H3
InChIKeyPZJZXJIRTDKZKX-UHFFFAOYSA-N
XLogP5.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1,3-di(propan-2-yl)benzene
CID 20769463
1-ethoxy-5-propan-2-ylnaphthalene
CID 176668059
1-ethenyl-3-propan-2-yl-2-propan-2-yloxybenzene
CID 22186396
1,3-di(propan-2-yl)-2-propoxybenzene
CID 59277560
nickel(2+);bis(3-propan-2-yl-2-propan-2-yloxybenzoate)
CID 19810778
calcium;hydride;3-propan-2-yl-2-propan-2-yloxybenzoic acid
CID 173417666
1-[(1R)-1-cyclobutylethyl]-2-ethoxy-3-propan-2-ylbenzene
CID 118951939
butane;1-propan-2-ylnaphthalene
CID 157253186
2-tert-butyl-1-ethyl-4-propan-2-yl-3-propan-2-yloxybenzene
CID 159108769
1-[2,6-di(propan-2-yl)phenoxy]propan-2-ol
CID 19774059
1-[2,6-di(propan-2-yl)phenoxy]-N,N-dimethylmethanamine
CID 155456372
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548

Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)-2-propan-2-yloxybenzene;ethoxyethane?
The IUPAC name of 1,3-di(propan-2-yl)-2-propan-2-yloxybenzene;ethoxyethane (CID 67998176) is 1,3-di(propan-2-yl)-2-propan-2-yloxybenzene;ethoxyethane.
What is the SMILES notation for 1,3-di(propan-2-yl)-2-propan-2-yloxybenzene;ethoxyethane?
The canonical SMILES for 1,3-di(propan-2-yl)-2-propan-2-yloxybenzene;ethoxyethane is CC(C)Oc1c(C(C)C)cccc1C(C)C.CCOCC.
What is the InChIKey of 1,3-di(propan-2-yl)-2-propan-2-yloxybenzene;ethoxyethane?
The InChIKey is PZJZXJIRTDKZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O.C4H10O/c1-10(2)13-8-7-9-14(11(3)4)15(13)16-12(5)6;1-3-5-4-2/h7-12H,1-6H3;3-4H2,1-2H3.
What are the key properties of 1,3-di(propan-2-yl)-2-propan-2-yloxybenzene;ethoxyethane?
1,3-di(propan-2-yl)-2-propan-2-yloxybenzene;ethoxyethane has a molecular weight of 294.48 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)-2-propan-2-yloxybenzene;ethoxyethane is sourced from PubChem (CID 67998176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).