4-(2,6-dimethyloct-7-en-2-yloxy)-4-oxobutanoic acid

C14H24O4 — CID 57300747

IUPAC4-(2,6-dimethyloct-7-en-2-yloxy)-4-oxobutanoic acid
SMILESC=CC(C)CCCC(C)(C)OC(=O)CCC(=O)O
InChIInChI=1S/C14H24O4/c1-5-11(2)7-6-10-14(3,4)18-13(17)9-8-12(15)16/h5,11H,1,6-10H2,2-4H3,(H,15,16)
InChIKeyGZMMKACJNCEKIY-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.17
Rot. Bonds9

About 4-(2,6-dimethyloct-7-en-2-yloxy)-4-oxobutanoic acid

4-(2,6-dimethyloct-7-en-2-yloxy)-4-oxobutanoic acid (PubChem CID 57300747) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 4-(2,6-dimethyloct-7-en-2-yloxy)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(2,6-dimethyloct-7-en-2-yloxy)-4-oxobutanoic acid
PubChem CID57300747
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name4-(2,6-dimethyloct-7-en-2-yloxy)-4-oxobutanoic acid
SMILESC=CC(C)CCCC(C)(C)OC(=O)CCC(=O)O
InChIInChI=1S/C14H24O4/c1-5-11(2)7-6-10-14(3,4)18-13(17)9-8-12(15)16/h5,11H,1,6-10H2,2-4H3,(H,15,16)
InChIKeyGZMMKACJNCEKIY-UHFFFAOYSA-N
XLogP3.17
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-Fluoro-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]non-8-enoic acid
CID 59148042
(2R,3R)-2-(3-fluoropropyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]hex-5-enoic acid
CID 118287095
2-((Tert-butoxycarbonyl)methyl)pent-4-enoic acid
CID 18516483
(R)-2-(2-(tert-butoxy)-2-oxoethyl)pent-4-enoic acid
CID 10560578
(2R,3S)-3-(tert-Butoxycarbonyl)-2-isobutylhex-5-enoic acid
CID 11021963
(2S,3R)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-enylhexanoic acid
CID 11054748
3-[(2-Methylpropan-2-yl)oxycarbonyl]hex-5-enoic acid
CID 11447213
(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-(2-methylpropyl)hex-5-enoic acid
CID 11747647
4-[2-(4-Methylcyclohex-3-en-1-yl)propan-2-yloxy]-4-oxobutanoic acid
CID 15783461
(S)-2-[2-(tert-Butoxy)-2-oxoethyl]pent-4-enoic Acid
CID 16053367
(3R)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-enylhexanoic acid
CID 18660805
2(R)-[1(RS)-(tert-butoxycarbonyl)-3-butenyl]-4-methylvaleric acid
CID 20658002

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethyloct-7-en-2-yloxy)-4-oxobutanoic acid?
The IUPAC name of 4-(2,6-dimethyloct-7-en-2-yloxy)-4-oxobutanoic acid (CID 57300747) is 4-(2,6-dimethyloct-7-en-2-yloxy)-4-oxobutanoic acid.
What is the SMILES notation for 4-(2,6-dimethyloct-7-en-2-yloxy)-4-oxobutanoic acid?
The canonical SMILES for 4-(2,6-dimethyloct-7-en-2-yloxy)-4-oxobutanoic acid is C=CC(C)CCCC(C)(C)OC(=O)CCC(=O)O.
What is the InChIKey of 4-(2,6-dimethyloct-7-en-2-yloxy)-4-oxobutanoic acid?
The InChIKey is GZMMKACJNCEKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-5-11(2)7-6-10-14(3,4)18-13(17)9-8-12(15)16/h5,11H,1,6-10H2,2-4H3,(H,15,16).
What are the key properties of 4-(2,6-dimethyloct-7-en-2-yloxy)-4-oxobutanoic acid?
4-(2,6-dimethyloct-7-en-2-yloxy)-4-oxobutanoic acid has a molecular weight of 256.34 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethyloct-7-en-2-yloxy)-4-oxobutanoic acid is sourced from PubChem (CID 57300747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).