1-[ethoxy(methoxy)methoxy]-2,3-di(propan-2-yl)benzene

C16H26O3 — CID 173367858

IUPAC1-[ethoxy(methoxy)methoxy]-2,3-di(propan-2-yl)benzene
SMILESCCOC(OC)Oc1cccc(C(C)C)c1C(C)C
InChIInChI=1S/C16H26O3/c1-7-18-16(17-6)19-14-10-8-9-13(11(2)3)15(14)12(4)5/h8-12,16H,7H2,1-6H3
InChIKeyVTWQLUDDPHXNLZ-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.28
Rot. Bonds7

About 1-[ethoxy(methoxy)methoxy]-2,3-di(propan-2-yl)benzene

1-[ethoxy(methoxy)methoxy]-2,3-di(propan-2-yl)benzene (PubChem CID 173367858) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-[ethoxy(methoxy)methoxy]-2,3-di(propan-2-yl)benzene.

Molecular Properties

Compound Name1-[ethoxy(methoxy)methoxy]-2,3-di(propan-2-yl)benzene
PubChem CID173367858
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name1-[ethoxy(methoxy)methoxy]-2,3-di(propan-2-yl)benzene
SMILESCCOC(OC)Oc1cccc(C(C)C)c1C(C)C
InChIInChI=1S/C16H26O3/c1-7-18-16(17-6)19-14-10-8-9-13(11(2)3)15(14)12(4)5/h8-12,16H,7H2,1-6H3
InChIKeyVTWQLUDDPHXNLZ-UHFFFAOYSA-N
XLogP4.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy(methoxy)methoxy]-2,3-di(propan-2-yl)benzene?
The IUPAC name of 1-[ethoxy(methoxy)methoxy]-2,3-di(propan-2-yl)benzene (CID 173367858) is 1-[ethoxy(methoxy)methoxy]-2,3-di(propan-2-yl)benzene.
What is the SMILES notation for 1-[ethoxy(methoxy)methoxy]-2,3-di(propan-2-yl)benzene?
The canonical SMILES for 1-[ethoxy(methoxy)methoxy]-2,3-di(propan-2-yl)benzene is CCOC(OC)Oc1cccc(C(C)C)c1C(C)C.
What is the InChIKey of 1-[ethoxy(methoxy)methoxy]-2,3-di(propan-2-yl)benzene?
The InChIKey is VTWQLUDDPHXNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-7-18-16(17-6)19-14-10-8-9-13(11(2)3)15(14)12(4)5/h8-12,16H,7H2,1-6H3.
What are the key properties of 1-[ethoxy(methoxy)methoxy]-2,3-di(propan-2-yl)benzene?
1-[ethoxy(methoxy)methoxy]-2,3-di(propan-2-yl)benzene has a molecular weight of 266.38 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(methoxy)methoxy]-2,3-di(propan-2-yl)benzene is sourced from PubChem (CID 173367858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).