2-butan-2-yloxyethoxybenzene;2-(2-methoxyethoxy)butane

C19H34O4 — CID 91062489

IUPAC2-butan-2-yloxyethoxybenzene;2-(2-methoxyethoxy)butane
SMILESCCC(C)OCCOC.CCC(C)OCCOc1ccccc1
InChIInChI=1S/C12H18O2.C7H16O2/c1-3-11(2)13-9-10-14-12-7-5-4-6-8-12;1-4-7(2)9-6-5-8-3/h4-8,11H,3,9-10H2,1-2H3;7H,4-6H2,1-3H3
InChIKeyLCGHQLMKZYJUFC-UHFFFAOYSA-N
MW326.48 g/mol
LogP4.33
Rot. Bonds11

About 2-butan-2-yloxyethoxybenzene;2-(2-methoxyethoxy)butane

2-butan-2-yloxyethoxybenzene;2-(2-methoxyethoxy)butane (PubChem CID 91062489) has the molecular formula C19H34O4 and a molecular weight of 326.48 g/mol. Its IUPAC name is 2-butan-2-yloxyethoxybenzene;2-(2-methoxyethoxy)butane.

Molecular Properties

Compound Name2-butan-2-yloxyethoxybenzene;2-(2-methoxyethoxy)butane
PubChem CID91062489
Molecular FormulaC19H34O4
Molecular Weight326.48 g/mol
Exact Mass326.25
IUPAC Name2-butan-2-yloxyethoxybenzene;2-(2-methoxyethoxy)butane
SMILESCCC(C)OCCOC.CCC(C)OCCOc1ccccc1
InChIInChI=1S/C12H18O2.C7H16O2/c1-3-11(2)13-9-10-14-12-7-5-4-6-8-12;1-4-7(2)9-6-5-8-3/h4-8,11H,3,9-10H2,1-2H3;7H,4-6H2,1-3H3
InChIKeyLCGHQLMKZYJUFC-UHFFFAOYSA-N
XLogP4.33
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 154643071
cumene;2-methoxyethoxybenzene;2-phenoxyethanol
CID 160957770
anisole;2-(5,5-dimethylhexan-2-yloxy)ethoxybenzene
CID 175384106
1-(2-methoxyethoxy)-4-phenylbenzene
CID 20582782
3-methoxy-2-(2-phenoxyethoxy)propan-1-amine
CID 103227846
N-butan-2-yl-4-(2-phenoxyethoxy)benzamide
CID 17137407
1-(4-methylphenyl)-2-(2-phenoxyethoxy)propan-1-one
CID 43798628
3-(2-methoxyethoxy)-N-pentan-3-ylaniline
CID 54864774
4-(2-methoxyethoxy)-N-phenylaniline
CID 54357885
1-methoxy-5-phenoxypentan-3-one
CID 114998471
2-(2-phenoxyethoxy)propanehydrazide
CID 63586818
3-(2-methoxyethoxy)-N-phenylaniline
CID 156904975

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxyethoxybenzene;2-(2-methoxyethoxy)butane?
The IUPAC name of 2-butan-2-yloxyethoxybenzene;2-(2-methoxyethoxy)butane (CID 91062489) is 2-butan-2-yloxyethoxybenzene;2-(2-methoxyethoxy)butane.
What is the SMILES notation for 2-butan-2-yloxyethoxybenzene;2-(2-methoxyethoxy)butane?
The canonical SMILES for 2-butan-2-yloxyethoxybenzene;2-(2-methoxyethoxy)butane is CCC(C)OCCOC.CCC(C)OCCOc1ccccc1.
What is the InChIKey of 2-butan-2-yloxyethoxybenzene;2-(2-methoxyethoxy)butane?
The InChIKey is LCGHQLMKZYJUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2.C7H16O2/c1-3-11(2)13-9-10-14-12-7-5-4-6-8-12;1-4-7(2)9-6-5-8-3/h4-8,11H,3,9-10H2,1-2H3;7H,4-6H2,1-3H3.
What are the key properties of 2-butan-2-yloxyethoxybenzene;2-(2-methoxyethoxy)butane?
2-butan-2-yloxyethoxybenzene;2-(2-methoxyethoxy)butane has a molecular weight of 326.48 g/mol, XLogP of 4.33, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxyethoxybenzene;2-(2-methoxyethoxy)butane is sourced from PubChem (CID 91062489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).