(4-ethyl-8-methoxy-3,3,6,6-tetramethyloctyl) acetate

C17H34O3 — CID 155000992

IUPAC(4-ethyl-8-methoxy-3,3,6,6-tetramethyloctyl) acetate
SMILESCCC(CC(C)(C)CCOC)C(C)(C)CCOC(C)=O
InChIInChI=1S/C17H34O3/c1-8-15(13-16(3,4)9-11-19-7)17(5,6)10-12-20-14(2)18/h15H,8-13H2,1-7H3
InChIKeyQVKWWIIIXPXDLH-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.44
Rot. Bonds10

About (4-ethyl-8-methoxy-3,3,6,6-tetramethyloctyl) acetate

(4-ethyl-8-methoxy-3,3,6,6-tetramethyloctyl) acetate (PubChem CID 155000992) has the molecular formula C17H34O3 and a molecular weight of 286.46 g/mol. Its IUPAC name is (4-ethyl-8-methoxy-3,3,6,6-tetramethyloctyl) acetate.

Molecular Properties

Compound Name(4-ethyl-8-methoxy-3,3,6,6-tetramethyloctyl) acetate
PubChem CID155000992
Molecular FormulaC17H34O3
Molecular Weight286.46 g/mol
Exact Mass286.25
IUPAC Name(4-ethyl-8-methoxy-3,3,6,6-tetramethyloctyl) acetate
SMILESCCC(CC(C)(C)CCOC)C(C)(C)CCOC(C)=O
InChIInChI=1S/C17H34O3/c1-8-15(13-16(3,4)9-11-19-7)17(5,6)10-12-20-14(2)18/h15H,8-13H2,1-7H3
InChIKeyQVKWWIIIXPXDLH-UHFFFAOYSA-N
XLogP4.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 118934885
4,4-dimethylhexyl acetate
CID 90020632
acetic acid;(3-methoxy-3-methylbutyl) acetate
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N-(4-methoxy-2,2-dimethylbutyl)acetamide
CID 104625400
cyclopropane;2-methoxyethyl acetate
CID 69413766
ethane-1,2-diol;(3-methoxy-3-methylbutyl) acetate
CID 146356038
methane;4-methoxybutyl acetate
CID 160669604
1-methoxy-2-(methoxymethyl)-3,3-dimethylhexane
CID 175461181
2-hydroxyethyl acetate;2-methoxyethyl acetate
CID 159506787
3,3,3-trichloropropyl acetate
CID 14970937
methyl 5-methoxy-3,3-dimethylpentanoate
CID 153309889

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-8-methoxy-3,3,6,6-tetramethyloctyl) acetate?
The IUPAC name of (4-ethyl-8-methoxy-3,3,6,6-tetramethyloctyl) acetate (CID 155000992) is (4-ethyl-8-methoxy-3,3,6,6-tetramethyloctyl) acetate.
What is the SMILES notation for (4-ethyl-8-methoxy-3,3,6,6-tetramethyloctyl) acetate?
The canonical SMILES for (4-ethyl-8-methoxy-3,3,6,6-tetramethyloctyl) acetate is CCC(CC(C)(C)CCOC)C(C)(C)CCOC(C)=O.
What is the InChIKey of (4-ethyl-8-methoxy-3,3,6,6-tetramethyloctyl) acetate?
The InChIKey is QVKWWIIIXPXDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3/c1-8-15(13-16(3,4)9-11-19-7)17(5,6)10-12-20-14(2)18/h15H,8-13H2,1-7H3.
What are the key properties of (4-ethyl-8-methoxy-3,3,6,6-tetramethyloctyl) acetate?
(4-ethyl-8-methoxy-3,3,6,6-tetramethyloctyl) acetate has a molecular weight of 286.46 g/mol, XLogP of 4.44, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-8-methoxy-3,3,6,6-tetramethyloctyl) acetate is sourced from PubChem (CID 155000992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).