1,5-diethoxy-3-(ethoxymethyl)-3-methylpentane

C13H28O3 — CID 23553099

IUPAC1,5-diethoxy-3-(ethoxymethyl)-3-methylpentane
SMILESCCOCCC(C)(CCOCC)COCC
InChIInChI=1S/C13H28O3/c1-5-14-10-8-13(4,12-16-7-3)9-11-15-6-2/h5-12H2,1-4H3
InChIKeyVIXLFLZHTUVEND-UHFFFAOYSA-N
MW232.36 g/mol
LogP2.88
Rot. Bonds11

About 1,5-diethoxy-3-(ethoxymethyl)-3-methylpentane

1,5-diethoxy-3-(ethoxymethyl)-3-methylpentane (PubChem CID 23553099) has the molecular formula C13H28O3 and a molecular weight of 232.36 g/mol. Its IUPAC name is 1,5-diethoxy-3-(ethoxymethyl)-3-methylpentane.

Molecular Properties

Compound Name1,5-diethoxy-3-(ethoxymethyl)-3-methylpentane
PubChem CID23553099
Molecular FormulaC13H28O3
Molecular Weight232.36 g/mol
Exact Mass232.20
IUPAC Name1,5-diethoxy-3-(ethoxymethyl)-3-methylpentane
SMILESCCOCCC(C)(CCOCC)COCC
InChIInChI=1S/C13H28O3/c1-5-14-10-8-13(4,12-16-7-3)9-11-15-6-2/h5-12H2,1-4H3
InChIKeyVIXLFLZHTUVEND-UHFFFAOYSA-N
XLogP2.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.36
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Ethyl-1,5-dimethoxy-3-(methoxymethyl)pentane
CID 20583777
1,5-Dimethoxy-2,2,4,4-tetramethylpentane
CID 20689594
3,3-Diethyl-1,5-dimethoxypentane
CID 53992794
1,5-Diethoxy-3-methylpentane
CID 54146284
1-Butoxy-5-methoxy-3-methylpentane
CID 54415916
1-(3,3-Dimethylpentoxy)-3,3-dimethylpentane
CID 57226434
4-(Methoxymethyl)-4-methyloxane
CID 57602833
CID 58450260
CID 58450260
1,5-Dimethoxy-3,3-bis(2-methoxyethyl)pentane
CID 58757994
1,5-Dimethoxy-3-[[4-methoxy-2,2-bis(2-methoxyethyl)butoxy]methyl]-3-(2-methoxyethyl)pentane
CID 58757996
1,5-Dimethoxy-3-(methoxymethyl)pentane
CID 58999715
4,4,10,10-Tetramethyl-1,7-dioxacyclododecane
CID 59046020

Frequently Asked Questions

What is the IUPAC name of 1,5-diethoxy-3-(ethoxymethyl)-3-methylpentane?
The IUPAC name of 1,5-diethoxy-3-(ethoxymethyl)-3-methylpentane (CID 23553099) is 1,5-diethoxy-3-(ethoxymethyl)-3-methylpentane.
What is the SMILES notation for 1,5-diethoxy-3-(ethoxymethyl)-3-methylpentane?
The canonical SMILES for 1,5-diethoxy-3-(ethoxymethyl)-3-methylpentane is CCOCCC(C)(CCOCC)COCC.
What is the InChIKey of 1,5-diethoxy-3-(ethoxymethyl)-3-methylpentane?
The InChIKey is VIXLFLZHTUVEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3/c1-5-14-10-8-13(4,12-16-7-3)9-11-15-6-2/h5-12H2,1-4H3.
What are the key properties of 1,5-diethoxy-3-(ethoxymethyl)-3-methylpentane?
1,5-diethoxy-3-(ethoxymethyl)-3-methylpentane has a molecular weight of 232.36 g/mol, XLogP of 2.88, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diethoxy-3-(ethoxymethyl)-3-methylpentane is sourced from PubChem (CID 23553099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).