10-oxo-6-propan-2-yl-10-propan-2-yloxydecanoic acid

C16H30O4 — CID 57078469

IUPAC10-oxo-6-propan-2-yl-10-propan-2-yloxydecanoic acid
SMILESCC(C)OC(=O)CCCC(CCCCC(=O)O)C(C)C
InChIInChI=1S/C16H30O4/c1-12(2)14(8-5-6-10-15(17)18)9-7-11-16(19)20-13(3)4/h12-14H,5-11H2,1-4H3,(H,17,18)
InChIKeyZCGWFAJACBPWRG-UHFFFAOYSA-N
MW286.41 g/mol
LogP4.03
Rot. Bonds11

About 10-oxo-6-propan-2-yl-10-propan-2-yloxydecanoic acid

10-oxo-6-propan-2-yl-10-propan-2-yloxydecanoic acid (PubChem CID 57078469) has the molecular formula C16H30O4 and a molecular weight of 286.41 g/mol. Its IUPAC name is 10-oxo-6-propan-2-yl-10-propan-2-yloxydecanoic acid.

Molecular Properties

Compound Name10-oxo-6-propan-2-yl-10-propan-2-yloxydecanoic acid
PubChem CID57078469
Molecular FormulaC16H30O4
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Name10-oxo-6-propan-2-yl-10-propan-2-yloxydecanoic acid
SMILESCC(C)OC(=O)CCCC(CCCCC(=O)O)C(C)C
InChIInChI=1S/C16H30O4/c1-12(2)14(8-5-6-10-15(17)18)9-7-11-16(19)20-13(3)4/h12-14H,5-11H2,1-4H3,(H,17,18)
InChIKeyZCGWFAJACBPWRG-UHFFFAOYSA-N
XLogP4.03
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

10-oxo-10-propan-2-yloxydecanoic acid
CID 10131064
4-propan-2-yltridecanedioic acid
CID 89462397
propan-2-yl 7-methyloctanoate;tetradecanoic acid
CID 174998882
hexadecanoic acid;propan-2-yl octadecanoate
CID 88712147
propan-2-yl 6-methylheptanoate
CID 23338189
dipropan-2-yl 2,3-di(propan-2-yl)octadecanedioate
CID 87117585
2-ethylhexanedioic acid;propan-2-yl hexanoate
CID 175244163
dipropan-2-yl 4-methyloctadecanedioate
CID 87117331
dipropan-2-yl 4-methylnonadecanedioate
CID 87116934
16-methyl-15-propan-2-yloxycarbonylheptadecanoic acid
CID 89462751
20-methyl-19-propan-2-yloxycarbonylhenicosanoic acid
CID 89462417
13-methyl-12-propan-2-yloxycarbonyltetradecanoic acid
CID 89463014

Frequently Asked Questions

What is the IUPAC name of 10-oxo-6-propan-2-yl-10-propan-2-yloxydecanoic acid?
The IUPAC name of 10-oxo-6-propan-2-yl-10-propan-2-yloxydecanoic acid (CID 57078469) is 10-oxo-6-propan-2-yl-10-propan-2-yloxydecanoic acid.
What is the SMILES notation for 10-oxo-6-propan-2-yl-10-propan-2-yloxydecanoic acid?
The canonical SMILES for 10-oxo-6-propan-2-yl-10-propan-2-yloxydecanoic acid is CC(C)OC(=O)CCCC(CCCCC(=O)O)C(C)C.
What is the InChIKey of 10-oxo-6-propan-2-yl-10-propan-2-yloxydecanoic acid?
The InChIKey is ZCGWFAJACBPWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O4/c1-12(2)14(8-5-6-10-15(17)18)9-7-11-16(19)20-13(3)4/h12-14H,5-11H2,1-4H3,(H,17,18).
What are the key properties of 10-oxo-6-propan-2-yl-10-propan-2-yloxydecanoic acid?
10-oxo-6-propan-2-yl-10-propan-2-yloxydecanoic acid has a molecular weight of 286.41 g/mol, XLogP of 4.03, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxo-6-propan-2-yl-10-propan-2-yloxydecanoic acid is sourced from PubChem (CID 57078469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).