4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yloxy)-4-oxobutanoic acid

C14H22O4 — CID 151449633

IUPAC4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yloxy)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)OC1CCCC2CCCCC21
InChIInChI=1S/C14H22O4/c15-13(16)8-9-14(17)18-12-7-3-5-10-4-1-2-6-11(10)12/h10-12H,1-9H2,(H,15,16)
InChIKeyPGFNSACBTVXOOV-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.75
Rot. Bonds4

About 4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yloxy)-4-oxobutanoic acid

4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yloxy)-4-oxobutanoic acid (PubChem CID 151449633) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yloxy)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yloxy)-4-oxobutanoic acid
PubChem CID151449633
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yloxy)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)OC1CCCC2CCCCC21
InChIInChI=1S/C14H22O4/c15-13(16)8-9-14(17)18-12-7-3-5-10-4-1-2-6-11(10)12/h10-12H,1-9H2,(H,15,16)
InChIKeyPGFNSACBTVXOOV-UHFFFAOYSA-N
XLogP2.75
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yloxy)-4-oxobutanoic acid with MolForge

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Launch Full Analysis

Related Compounds

1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl butanoate
CID 16756226
[(4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] acetate
CID 66824801
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl nonadecanoate
CID 57264778
4-[[(1S,3aS,4S,6aS)-4-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]oxy]-4-oxobutanoic acid
CID 122695941
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl 2-methylprop-2-enoate
CID 18400373
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl 2-imino-3-methylbutanoate
CID 163687939
[2-(3-sulfanylpropanoyloxy)cyclohexyl] 3-sulfanylpropanoate
CID 90219367
4-[[(3S,3aR,6R,6aR)-6-(3-carboxypropanoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-4-oxobutanoic acid
CID 90139075
4-(2,5-dimethylcyclohexyl)oxy-4-oxobutanoic acid
CID 135170741
[(1S,2R)-2-methylcyclohexyl] butanoate
CID 91695904
4-[[(3S,3aR,6S,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-oxobutanoic acid
CID 122693374
4-(4-aminocyclohexyl)oxy-4-oxobutanoic acid
CID 70322614

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yloxy)-4-oxobutanoic acid?
The IUPAC name of 4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yloxy)-4-oxobutanoic acid (CID 151449633) is 4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yloxy)-4-oxobutanoic acid.
What is the SMILES notation for 4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yloxy)-4-oxobutanoic acid?
The canonical SMILES for 4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yloxy)-4-oxobutanoic acid is O=C(O)CCC(=O)OC1CCCC2CCCCC21.
What is the InChIKey of 4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yloxy)-4-oxobutanoic acid?
The InChIKey is PGFNSACBTVXOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c15-13(16)8-9-14(17)18-12-7-3-5-10-4-1-2-6-11(10)12/h10-12H,1-9H2,(H,15,16).
What are the key properties of 4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yloxy)-4-oxobutanoic acid?
4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yloxy)-4-oxobutanoic acid has a molecular weight of 254.33 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yloxy)-4-oxobutanoic acid is sourced from PubChem (CID 151449633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).