3-ethyl-3-[[2-ethyl-2-(methoxymethyl)butoxy]methyl]pentane

C16H34O2 — CID 20826081

IUPAC3-ethyl-3-[[2-ethyl-2-(methoxymethyl)butoxy]methyl]pentane
SMILESCCC(CC)(CC)COCC(CC)(CC)COC
InChIInChI=1S/C16H34O2/c1-7-15(8-2,9-3)13-18-14-16(10-4,11-5)12-17-6/h7-14H2,1-6H3
InChIKeyWPPXUFNNFSKXKF-UHFFFAOYSA-N
MW258.45 g/mol
LogP4.67
Rot. Bonds11

About 3-ethyl-3-[[2-ethyl-2-(methoxymethyl)butoxy]methyl]pentane

3-ethyl-3-[[2-ethyl-2-(methoxymethyl)butoxy]methyl]pentane (PubChem CID 20826081) has the molecular formula C16H34O2 and a molecular weight of 258.45 g/mol. Its IUPAC name is 3-ethyl-3-[[2-ethyl-2-(methoxymethyl)butoxy]methyl]pentane.

Molecular Properties

Compound Name3-ethyl-3-[[2-ethyl-2-(methoxymethyl)butoxy]methyl]pentane
PubChem CID20826081
Molecular FormulaC16H34O2
Molecular Weight258.45 g/mol
Exact Mass258.26
IUPAC Name3-ethyl-3-[[2-ethyl-2-(methoxymethyl)butoxy]methyl]pentane
SMILESCCC(CC)(CC)COCC(CC)(CC)COC
InChIInChI=1S/C16H34O2/c1-7-15(8-2,9-3)13-18-14-16(10-4,11-5)12-17-6/h7-14H2,1-6H3
InChIKeyWPPXUFNNFSKXKF-UHFFFAOYSA-N
XLogP4.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[[2-ethyl-2-(methoxymethyl)butoxy]methyl]pentane?
The IUPAC name of 3-ethyl-3-[[2-ethyl-2-(methoxymethyl)butoxy]methyl]pentane (CID 20826081) is 3-ethyl-3-[[2-ethyl-2-(methoxymethyl)butoxy]methyl]pentane.
What is the SMILES notation for 3-ethyl-3-[[2-ethyl-2-(methoxymethyl)butoxy]methyl]pentane?
The canonical SMILES for 3-ethyl-3-[[2-ethyl-2-(methoxymethyl)butoxy]methyl]pentane is CCC(CC)(CC)COCC(CC)(CC)COC.
What is the InChIKey of 3-ethyl-3-[[2-ethyl-2-(methoxymethyl)butoxy]methyl]pentane?
The InChIKey is WPPXUFNNFSKXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2/c1-7-15(8-2,9-3)13-18-14-16(10-4,11-5)12-17-6/h7-14H2,1-6H3.
What are the key properties of 3-ethyl-3-[[2-ethyl-2-(methoxymethyl)butoxy]methyl]pentane?
3-ethyl-3-[[2-ethyl-2-(methoxymethyl)butoxy]methyl]pentane has a molecular weight of 258.45 g/mol, XLogP of 4.67, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[[2-ethyl-2-(methoxymethyl)butoxy]methyl]pentane is sourced from PubChem (CID 20826081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).