1,2-diethoxy-3-(ethoxymethyl)pentane

C12H26O3 — CID 21051621

IUPAC1,2-diethoxy-3-(ethoxymethyl)pentane
SMILESCCOCC(CC)C(COCC)OCC
InChIInChI=1S/C12H26O3/c1-5-11(9-13-6-2)12(15-8-4)10-14-7-3/h11-12H,5-10H2,1-4H3
InChIKeyASCNGUZPSFROBD-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.49
Rot. Bonds10

About 1,2-diethoxy-3-(ethoxymethyl)pentane

1,2-diethoxy-3-(ethoxymethyl)pentane (PubChem CID 21051621) has the molecular formula C12H26O3 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1,2-diethoxy-3-(ethoxymethyl)pentane.

Molecular Properties

Compound Name1,2-diethoxy-3-(ethoxymethyl)pentane
PubChem CID21051621
Molecular FormulaC12H26O3
Molecular Weight218.34 g/mol
Exact Mass218.19
IUPAC Name1,2-diethoxy-3-(ethoxymethyl)pentane
SMILESCCOCC(CC)C(COCC)OCC
InChIInChI=1S/C12H26O3/c1-5-11(9-13-6-2)12(15-8-4)10-14-7-3/h11-12H,5-10H2,1-4H3
InChIKeyASCNGUZPSFROBD-UHFFFAOYSA-N
XLogP2.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,2-diethoxy-3-(ethoxymethyl)pentane 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

Bis(3-ethyloxetanylmethyl) ether
CID 68654288
3-(1-Ethoxyethyl)oxolane
CID 11788363
3-(3-Methylbutoxy)oxane
CID 14080834
3-Ethyl-1,2-dimethoxypentane
CID 18398351
2-(2-Methylpentoxymethyl)oxirane
CID 18980873
1-Ethoxy-2-hydroperoxy-3-methylpentane
CID 20580288
2-[3-(Ethoxymethyl)-2-(2-methylpropoxy)pentoxy]ethanol
CID 20681100
2-(4-Methylpentoxymethyl)oxirane
CID 20697974
3-Ethoxy-2,4,5-trimethyloxolane
CID 22986568
1,2,3-Trimethoxy-4-methylpentane
CID 23384640
3-(2-Methylpropoxy)oxane
CID 53758540
1-(2,3-Dimethoxypropoxy)-2-methylpentane
CID 53876001

Frequently Asked Questions

What is the IUPAC name of 1,2-diethoxy-3-(ethoxymethyl)pentane?
The IUPAC name of 1,2-diethoxy-3-(ethoxymethyl)pentane (CID 21051621) is 1,2-diethoxy-3-(ethoxymethyl)pentane.
What is the SMILES notation for 1,2-diethoxy-3-(ethoxymethyl)pentane?
The canonical SMILES for 1,2-diethoxy-3-(ethoxymethyl)pentane is CCOCC(CC)C(COCC)OCC.
What is the InChIKey of 1,2-diethoxy-3-(ethoxymethyl)pentane?
The InChIKey is ASCNGUZPSFROBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3/c1-5-11(9-13-6-2)12(15-8-4)10-14-7-3/h11-12H,5-10H2,1-4H3.
What are the key properties of 1,2-diethoxy-3-(ethoxymethyl)pentane?
1,2-diethoxy-3-(ethoxymethyl)pentane has a molecular weight of 218.34 g/mol, XLogP of 2.49, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethoxy-3-(ethoxymethyl)pentane is sourced from PubChem (CID 21051621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).