3-[[2-[[2-(2,2-diethylbutoxymethyl)-2-ethylbutoxy]methyl]-2-ethylbutoxy]methyl]-3-ethylpentane

C30H62O3 — CID 129159634

IUPAC3-[[2-[[2-(2,2-diethylbutoxymethyl)-2-ethylbutoxy]methyl]-2-ethylbutoxy]methyl]-3-ethylpentane
SMILESCCC(CC)(CC)COCC(CC)(CC)COCC(CC)(CC)COCC(CC)(CC)CC
InChIInChI=1S/C30H62O3/c1-11-27(12-2,13-3)21-31-23-29(17-7,18-8)25-33-26-30(19-9,20-10)24-32-22-28(14-4,15-5)16-6/h11-26H2,1-10H3
InChIKeyQNHOZVNZGIBLEL-UHFFFAOYSA-N
MW470.82 g/mol
LogP9.08
Rot. Bonds22

About 3-[[2-[[2-(2,2-diethylbutoxymethyl)-2-ethylbutoxy]methyl]-2-ethylbutoxy]methyl]-3-ethylpentane

3-[[2-[[2-(2,2-diethylbutoxymethyl)-2-ethylbutoxy]methyl]-2-ethylbutoxy]methyl]-3-ethylpentane (PubChem CID 129159634) has the molecular formula C30H62O3 and a molecular weight of 470.82 g/mol. Its IUPAC name is 3-[[2-[[2-(2,2-diethylbutoxymethyl)-2-ethylbutoxy]methyl]-2-ethylbutoxy]methyl]-3-ethylpentane.

Molecular Properties

Compound Name3-[[2-[[2-(2,2-diethylbutoxymethyl)-2-ethylbutoxy]methyl]-2-ethylbutoxy]methyl]-3-ethylpentane
PubChem CID129159634
Molecular FormulaC30H62O3
Molecular Weight470.82 g/mol
Exact Mass470.47
IUPAC Name3-[[2-[[2-(2,2-diethylbutoxymethyl)-2-ethylbutoxy]methyl]-2-ethylbutoxy]methyl]-3-ethylpentane
SMILESCCC(CC)(CC)COCC(CC)(CC)COCC(CC)(CC)COCC(CC)(CC)CC
InChIInChI=1S/C30H62O3/c1-11-27(12-2,13-3)21-31-23-29(17-7,18-8)25-33-26-30(19-9,20-10)24-32-22-28(14-4,15-5)16-6/h11-26H2,1-10H3
InChIKeyQNHOZVNZGIBLEL-UHFFFAOYSA-N
XLogP9.08
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.82
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[[2-[[2-(2,2-diethylbutoxymethyl)-2-ethylbutoxy]methyl]-2-ethylbutoxy]methyl]-3-ethylpentane with MolForge

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Related Compounds

3-ethyl-3-(propoxymethyl)pentane
CID 21035931
3-(2,2-diethylbutoxymethyl)-3-ethylpentane;3-[3-(2,2-diethylbutoxy)pentan-3-yloxymethyl]-3-ethylpentane;3,3-diethylpentane;methane
CID 158957880
2-[[2-[2,2-bis(hydroxymethyl)butoxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 88891736
2-[2-(2-aminoethoxymethyl)-2-[2,2-bis(2-aminoethoxymethyl)butoxymethyl]butoxy]ethanamine
CID 155605637
2,2-bis(hydroxymethoxymethyl)butoxymethanol
CID 126644173
CID 58841248
CID 58841248
2-[2-[2-[2-(2-aminoethoxy)ethoxymethyl]-2-[2,2-bis[2-(2-aminoethoxy)ethoxymethyl]butoxymethyl]butoxy]ethoxy]ethanamine
CID 176847062
1-[2-(2-aminopropoxymethyl)-2-[2,2-bis(2-aminopropoxymethyl)butoxymethyl]butoxy]propan-2-amine
CID 155605635
3-[2-(2-cyanoethoxymethyl)-2-ethylbutoxy]propanenitrile
CID 58461553
1-bromo-2-(bromomethyl)-2-(ethoxymethyl)butane
CID 103985337
2-ethyl-2-(hydroxymethoxymethyl)propane-1,3-diol
CID 175057771
2-ethyl-2-[(3-hydroxy-2,2-dimethylpropoxy)methyl]hexan-1-ol
CID 90266979

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[[2-(2,2-diethylbutoxymethyl)-2-ethylbutoxy]methyl]-2-ethylbutoxy]methyl]-3-ethylpentane?
The IUPAC name of 3-[[2-[[2-(2,2-diethylbutoxymethyl)-2-ethylbutoxy]methyl]-2-ethylbutoxy]methyl]-3-ethylpentane (CID 129159634) is 3-[[2-[[2-(2,2-diethylbutoxymethyl)-2-ethylbutoxy]methyl]-2-ethylbutoxy]methyl]-3-ethylpentane.
What is the SMILES notation for 3-[[2-[[2-(2,2-diethylbutoxymethyl)-2-ethylbutoxy]methyl]-2-ethylbutoxy]methyl]-3-ethylpentane?
The canonical SMILES for 3-[[2-[[2-(2,2-diethylbutoxymethyl)-2-ethylbutoxy]methyl]-2-ethylbutoxy]methyl]-3-ethylpentane is CCC(CC)(CC)COCC(CC)(CC)COCC(CC)(CC)COCC(CC)(CC)CC.
What is the InChIKey of 3-[[2-[[2-(2,2-diethylbutoxymethyl)-2-ethylbutoxy]methyl]-2-ethylbutoxy]methyl]-3-ethylpentane?
The InChIKey is QNHOZVNZGIBLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H62O3/c1-11-27(12-2,13-3)21-31-23-29(17-7,18-8)25-33-26-30(19-9,20-10)24-32-22-28(14-4,15-5)16-6/h11-26H2,1-10H3.
What are the key properties of 3-[[2-[[2-(2,2-diethylbutoxymethyl)-2-ethylbutoxy]methyl]-2-ethylbutoxy]methyl]-3-ethylpentane?
3-[[2-[[2-(2,2-diethylbutoxymethyl)-2-ethylbutoxy]methyl]-2-ethylbutoxy]methyl]-3-ethylpentane has a molecular weight of 470.82 g/mol, XLogP of 9.08, 22 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[[2-(2,2-diethylbutoxymethyl)-2-ethylbutoxy]methyl]-2-ethylbutoxy]methyl]-3-ethylpentane is sourced from PubChem (CID 129159634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).