1-ethyl-3,5-dimethoxybenzene;2-methylpentan-3-yl butanoate

C20H34O4 — CID 153400987

IUPAC1-ethyl-3,5-dimethoxybenzene;2-methylpentan-3-yl butanoate
SMILESCCCC(=O)OC(CC)C(C)C.CCc1cc(OC)cc(OC)c1
InChIInChI=1S/C10H14O2.C10H20O2/c1-4-8-5-9(11-2)7-10(6-8)12-3;1-5-7-10(11)12-9(6-2)8(3)4/h5-7H,4H2,1-3H3;8-9H,5-7H2,1-4H3
InChIKeyANSXUDLSRDNAHV-UHFFFAOYSA-N
MW338.49 g/mol
LogP5.03
Rot. Bonds8

About 1-ethyl-3,5-dimethoxybenzene;2-methylpentan-3-yl butanoate

1-ethyl-3,5-dimethoxybenzene;2-methylpentan-3-yl butanoate (PubChem CID 153400987) has the molecular formula C20H34O4 and a molecular weight of 338.49 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethoxybenzene;2-methylpentan-3-yl butanoate.

Molecular Properties

Compound Name1-ethyl-3,5-dimethoxybenzene;2-methylpentan-3-yl butanoate
PubChem CID153400987
Molecular FormulaC20H34O4
Molecular Weight338.49 g/mol
Exact Mass338.25
IUPAC Name1-ethyl-3,5-dimethoxybenzene;2-methylpentan-3-yl butanoate
SMILESCCCC(=O)OC(CC)C(C)C.CCc1cc(OC)cc(OC)c1
InChIInChI=1S/C10H14O2.C10H20O2/c1-4-8-5-9(11-2)7-10(6-8)12-3;1-5-7-10(11)12-9(6-2)8(3)4/h5-7H,4H2,1-3H3;8-9H,5-7H2,1-4H3
InChIKeyANSXUDLSRDNAHV-UHFFFAOYSA-N
XLogP5.03
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-3,5-dimethoxybenzene;2-methylpentan-3-yl butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]butan-2-yl] butanoate
CID 146481361
4-O-(2-methylpentan-3-yl) 1-O-propyl butanedioate
CID 91702541
5-O-(2-methylpentan-3-yl) 1-O-[(3-phenoxyphenyl)methyl] pentanedioate
CID 91728355
diethyl 2-methylpropanedioate;1,3,5-trimethoxybenzene
CID 174557224
1-ethyl-3-methoxy-5-propoxybenzene
CID 143260185
1-ethyl-3-methoxy-5-(2-methylpropyl)benzene
CID 155459307
methane;1-[2-(6-methoxynaphthalen-2-yl)acetyl]oxyethyl butanoate
CID 70261477
propan-2-yl 3-(3-methoxyphenyl)propanoate
CID 14043098
1-(3,5-dimethoxyphenyl)-4-hydroxypentan-2-one
CID 24972545
4-O-(2-methylpentan-3-yl) 1-O-tetradecyl butanedioate
CID 91710579
4-O-(2-methylpentan-3-yl) 1-O-(3-phenylpropyl) butanedioate
CID 91710210
1-O-(2-fluorophenyl) 4-O-(2-methylpentan-3-yl) butanedioate
CID 91731978

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethoxybenzene;2-methylpentan-3-yl butanoate?
The IUPAC name of 1-ethyl-3,5-dimethoxybenzene;2-methylpentan-3-yl butanoate (CID 153400987) is 1-ethyl-3,5-dimethoxybenzene;2-methylpentan-3-yl butanoate.
What is the SMILES notation for 1-ethyl-3,5-dimethoxybenzene;2-methylpentan-3-yl butanoate?
The canonical SMILES for 1-ethyl-3,5-dimethoxybenzene;2-methylpentan-3-yl butanoate is CCCC(=O)OC(CC)C(C)C.CCc1cc(OC)cc(OC)c1.
What is the InChIKey of 1-ethyl-3,5-dimethoxybenzene;2-methylpentan-3-yl butanoate?
The InChIKey is ANSXUDLSRDNAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2.C10H20O2/c1-4-8-5-9(11-2)7-10(6-8)12-3;1-5-7-10(11)12-9(6-2)8(3)4/h5-7H,4H2,1-3H3;8-9H,5-7H2,1-4H3.
What are the key properties of 1-ethyl-3,5-dimethoxybenzene;2-methylpentan-3-yl butanoate?
1-ethyl-3,5-dimethoxybenzene;2-methylpentan-3-yl butanoate has a molecular weight of 338.49 g/mol, XLogP of 5.03, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethoxybenzene;2-methylpentan-3-yl butanoate is sourced from PubChem (CID 153400987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).