3-(3-ethylheptan-3-yloxymethyl)-2,2,3,5-tetramethylhexane

C20H42O — CID 123850778

IUPAC3-(3-ethylheptan-3-yloxymethyl)-2,2,3,5-tetramethylhexane
SMILESCCCCC(CC)(CC)OCC(C)(CC(C)C)C(C)(C)C
InChIInChI=1S/C20H42O/c1-10-13-14-20(11-2,12-3)21-16-19(9,15-17(4)5)18(6,7)8/h17H,10-16H2,1-9H3
InChIKeyGEHPDGXNNDKSMT-UHFFFAOYSA-N
MW298.56 g/mol
LogP6.85
Rot. Bonds10

About 3-(3-ethylheptan-3-yloxymethyl)-2,2,3,5-tetramethylhexane

3-(3-ethylheptan-3-yloxymethyl)-2,2,3,5-tetramethylhexane (PubChem CID 123850778) has the molecular formula C20H42O and a molecular weight of 298.56 g/mol. Its IUPAC name is 3-(3-ethylheptan-3-yloxymethyl)-2,2,3,5-tetramethylhexane.

Molecular Properties

Compound Name3-(3-ethylheptan-3-yloxymethyl)-2,2,3,5-tetramethylhexane
PubChem CID123850778
Molecular FormulaC20H42O
Molecular Weight298.56 g/mol
Exact Mass298.32
IUPAC Name3-(3-ethylheptan-3-yloxymethyl)-2,2,3,5-tetramethylhexane
SMILESCCCCC(CC)(CC)OCC(C)(CC(C)C)C(C)(C)C
InChIInChI=1S/C20H42O/c1-10-13-14-20(11-2,12-3)21-16-19(9,15-17(4)5)18(6,7)8/h17H,10-16H2,1-9H3
InChIKeyGEHPDGXNNDKSMT-UHFFFAOYSA-N
XLogP6.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.56
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

tris(3-ethylheptan-3-yl) phosphite
CID 175009117
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3-butoxy-3-ethyloctane
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2,4-dimethyl-4-propyloctane
CID 57491235
5-(2-methylpropyl)nonan-5-amine
CID 88761377
tris(3-ethylheptan-3-yloxy)alumane
CID 141438993
4-ethyl-2,4-dimethylundecane
CID 22481197
1-(2-tert-butyl-2,4-dimethylpentoxy)-1-ethylcyclooctane
CID 123823776
5-butyl-5-(5-butylnonan-5-yloxy)nonane
CID 57230356
2-methyl-5-[2-methyl-5-(2-methylpropyl)hexadecan-5-yl]oxy-5-(2-methylpropyl)hexadecane
CID 140985086
4-butoxy-4-(2-butoxyethyl)-2,6-dimethylheptane
CID 174656248

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylheptan-3-yloxymethyl)-2,2,3,5-tetramethylhexane?
The IUPAC name of 3-(3-ethylheptan-3-yloxymethyl)-2,2,3,5-tetramethylhexane (CID 123850778) is 3-(3-ethylheptan-3-yloxymethyl)-2,2,3,5-tetramethylhexane.
What is the SMILES notation for 3-(3-ethylheptan-3-yloxymethyl)-2,2,3,5-tetramethylhexane?
The canonical SMILES for 3-(3-ethylheptan-3-yloxymethyl)-2,2,3,5-tetramethylhexane is CCCCC(CC)(CC)OCC(C)(CC(C)C)C(C)(C)C.
What is the InChIKey of 3-(3-ethylheptan-3-yloxymethyl)-2,2,3,5-tetramethylhexane?
The InChIKey is GEHPDGXNNDKSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O/c1-10-13-14-20(11-2,12-3)21-16-19(9,15-17(4)5)18(6,7)8/h17H,10-16H2,1-9H3.
What are the key properties of 3-(3-ethylheptan-3-yloxymethyl)-2,2,3,5-tetramethylhexane?
3-(3-ethylheptan-3-yloxymethyl)-2,2,3,5-tetramethylhexane has a molecular weight of 298.56 g/mol, XLogP of 6.85, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylheptan-3-yloxymethyl)-2,2,3,5-tetramethylhexane is sourced from PubChem (CID 123850778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).