2,4-diethyl-6-(methoxymethyl)-3,5-dimethyloctan-1-ol

C16H34O2 — CID 170068950

IUPAC2,4-diethyl-6-(methoxymethyl)-3,5-dimethyloctan-1-ol
SMILESCCC(CO)C(C)C(CC)C(C)C(CC)COC
InChIInChI=1S/C16H34O2/c1-7-14(10-17)12(4)16(9-3)13(5)15(8-2)11-18-6/h12-17H,7-11H2,1-6H3
InChIKeyXUWYIKCVKCDHHN-UHFFFAOYSA-N
MW258.45 g/mol
LogP3.98
Rot. Bonds10

About 2,4-diethyl-6-(methoxymethyl)-3,5-dimethyloctan-1-ol

2,4-diethyl-6-(methoxymethyl)-3,5-dimethyloctan-1-ol (PubChem CID 170068950) has the molecular formula C16H34O2 and a molecular weight of 258.45 g/mol. Its IUPAC name is 2,4-diethyl-6-(methoxymethyl)-3,5-dimethyloctan-1-ol.

Molecular Properties

Compound Name2,4-diethyl-6-(methoxymethyl)-3,5-dimethyloctan-1-ol
PubChem CID170068950
Molecular FormulaC16H34O2
Molecular Weight258.45 g/mol
Exact Mass258.26
IUPAC Name2,4-diethyl-6-(methoxymethyl)-3,5-dimethyloctan-1-ol
SMILESCCC(CO)C(C)C(CC)C(C)C(CC)COC
InChIInChI=1S/C16H34O2/c1-7-14(10-17)12(4)16(9-3)13(5)15(8-2)11-18-6/h12-17H,7-11H2,1-6H3
InChIKeyXUWYIKCVKCDHHN-UHFFFAOYSA-N
XLogP3.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(3S)-3-(methoxymethyl)-2-methylpentane
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ethane;3-(methoxymethyl)-2-methylpentane
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(2S,3R,4R)-2-ethyl-5-(methoxymethoxy)-4-methylpentane-1,3-diol
CID 101428801
3-(methoxymethyl)pentan-2-amine
CID 66437856
1,4-dimethoxy-2-(methoxymethyl)-3-methylbutane
CID 59866935
3-ethyl-1-methoxypentan-2-ol
CID 79568083
(2S,3S)-1-methoxy-3-methylpentan-2-amine
CID 28802418
(2S)-1-methoxy-3-methylpentan-2-amine
CID 55263175
4-(methoxymethyl)-2-methylhexan-3-amine
CID 79298395

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-6-(methoxymethyl)-3,5-dimethyloctan-1-ol?
The IUPAC name of 2,4-diethyl-6-(methoxymethyl)-3,5-dimethyloctan-1-ol (CID 170068950) is 2,4-diethyl-6-(methoxymethyl)-3,5-dimethyloctan-1-ol.
What is the SMILES notation for 2,4-diethyl-6-(methoxymethyl)-3,5-dimethyloctan-1-ol?
The canonical SMILES for 2,4-diethyl-6-(methoxymethyl)-3,5-dimethyloctan-1-ol is CCC(CO)C(C)C(CC)C(C)C(CC)COC.
What is the InChIKey of 2,4-diethyl-6-(methoxymethyl)-3,5-dimethyloctan-1-ol?
The InChIKey is XUWYIKCVKCDHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2/c1-7-14(10-17)12(4)16(9-3)13(5)15(8-2)11-18-6/h12-17H,7-11H2,1-6H3.
What are the key properties of 2,4-diethyl-6-(methoxymethyl)-3,5-dimethyloctan-1-ol?
2,4-diethyl-6-(methoxymethyl)-3,5-dimethyloctan-1-ol has a molecular weight of 258.45 g/mol, XLogP of 3.98, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-6-(methoxymethyl)-3,5-dimethyloctan-1-ol is sourced from PubChem (CID 170068950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).