Benzene;ethane;methoxymethane

Name: Benzene;ethane;methoxymethane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₃₀H₆₆O₂ — CID 159850275

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACbenzene;ethane;methoxymethane

SMILESCC.CC.CC.CC.CC.CC.CC.COC.COC.c1ccccc1.c1ccccc1

InChIInChI=1S/2C6H6.2C2H6O.7C2H6/c2*1-2-4-6-5-3-1;2*1-3-2;7*1-2/h2*1-6H;2*1-2H3;7*1-2H3

InChIKeyNPVNGHCZKMMJSZ-UHFFFAOYSA-N

MW458.86 g/mol

LogP11.08

Rot. Bonds

About Benzene;ethane;methoxymethane

Benzene;ethane;methoxymethane (PubChem CID 159850275) has the molecular formula C₃₀H₆₆O₂ and a molecular weight of 458.86 g/mol. Its IUPAC name is benzene;ethane;methoxymethane.

Molecular Properties

Compound Name	Benzene;ethane;methoxymethane
PubChem CID	159850275
Molecular Formula	C₃₀H₆₆O₂
Molecular Weight	458.86 g/mol
Exact Mass	458.51
IUPAC Name	benzene;ethane;methoxymethane
SMILES	CC.CC.CC.CC.CC.CC.CC.COC.COC.c1ccccc1.c1ccccc1
InChI	InChI=1S/2C6H6.2C2H6O.7C2H6/c21-2-4-6-5-3-1;21-3-2;71-2/h21-6H;21-2H3;71-2H3
InChIKey	NPVNGHCZKMMJSZ-UHFFFAOYSA-N
XLogP	11.08
TPSA	18.46 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.86
LogP ≤ 5	11.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Benzene;ethane;methoxymethane?

The IUPAC name of Benzene;ethane;methoxymethane (CID 159850275) is benzene;ethane;methoxymethane.

What is the SMILES notation for Benzene;ethane;methoxymethane?

The canonical SMILES for Benzene;ethane;methoxymethane is CC.CC.CC.CC.CC.CC.CC.COC.COC.c1ccccc1.c1ccccc1.

What is the InChIKey of Benzene;ethane;methoxymethane?

The InChIKey is NPVNGHCZKMMJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6.2C2H6O.7C2H6/c2*1-2-4-6-5-3-1;2*1-3-2;7*1-2/h2*1-6H;2*1-2H3;7*1-2H3.

What are the key properties of Benzene;ethane;methoxymethane?

Benzene;ethane;methoxymethane has a molecular weight of 458.86 g/mol, XLogP of 11.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Benzene;ethane;methoxymethane is sourced from PubChem (CID 159850275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 159850275 — identifiers, structure, computed properties (public domain)

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