2-[10-[(2-methylpropan-2-yl)oxy]-10-oxodecoxy]acetic acid

C16H30O5 — CID 167705812

IUPAC2-[10-[(2-methylpropan-2-yl)oxy]-10-oxodecoxy]acetic acid
SMILESCC(C)(C)OC(=O)CCCCCCCCCOCC(=O)O
InChIInChI=1S/C16H30O5/c1-16(2,3)21-15(19)11-9-7-5-4-6-8-10-12-20-13-14(17)18/h4-13H2,1-3H3,(H,17,18)
InChIKeyJFAUFKRDIBFXOD-UHFFFAOYSA-N
MW302.41 g/mol
LogP3.55
Rot. Bonds12

About 2-[10-[(2-methylpropan-2-yl)oxy]-10-oxodecoxy]acetic acid

2-[10-[(2-methylpropan-2-yl)oxy]-10-oxodecoxy]acetic acid (PubChem CID 167705812) has the molecular formula C16H30O5 and a molecular weight of 302.41 g/mol. Its IUPAC name is 2-[10-[(2-methylpropan-2-yl)oxy]-10-oxodecoxy]acetic acid.

Molecular Properties

Compound Name2-[10-[(2-methylpropan-2-yl)oxy]-10-oxodecoxy]acetic acid
PubChem CID167705812
Molecular FormulaC16H30O5
Molecular Weight302.41 g/mol
Exact Mass302.21
IUPAC Name2-[10-[(2-methylpropan-2-yl)oxy]-10-oxodecoxy]acetic acid
SMILESCC(C)(C)OC(=O)CCCCCCCCCOCC(=O)O
InChIInChI=1S/C16H30O5/c1-16(2,3)21-15(19)11-9-7-5-4-6-8-10-12-20-13-14(17)18/h4-13H2,1-3H3,(H,17,18)
InChIKeyJFAUFKRDIBFXOD-UHFFFAOYSA-N
XLogP3.55
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 6-(4-pentoxybutoxy)hexanoate
CID 135210268
tert-butyl 3-(6-bromohexoxy)propanoate
CID 165436316
tert-butyl 6-[2-(2-hydroperoxyethoxy)ethoxy]hexanoate
CID 87242524
tert-butyl 5-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]pentanoate
CID 129086852
tert-butyl 4-[2-(2-oxopropoxy)ethoxy]butanoate
CID 158408428
tert-butyl 5-(5-methylsulfonyloxypentoxy)pentanoate
CID 140844516
ditert-butyl pentanedioate
CID 3016405
tert-butyl 6-[2-[2-[(2E)-2-ethenylpenta-2,4-dienoxy]ethoxy]ethoxy]hexanoate
CID 168969824
tert-butyl 16-hydroxyhexadecanoate
CID 118542708
tert-butyl octacosanoate
CID 174872722
tert-butyl 7-amino-7-oxoheptanoate
CID 88902812
tert-butyl 5-[2-(2-prop-2-ynoxyethoxy)ethoxy]pentanoate
CID 177270276

Frequently Asked Questions

What is the IUPAC name of 2-[10-[(2-methylpropan-2-yl)oxy]-10-oxodecoxy]acetic acid?
The IUPAC name of 2-[10-[(2-methylpropan-2-yl)oxy]-10-oxodecoxy]acetic acid (CID 167705812) is 2-[10-[(2-methylpropan-2-yl)oxy]-10-oxodecoxy]acetic acid.
What is the SMILES notation for 2-[10-[(2-methylpropan-2-yl)oxy]-10-oxodecoxy]acetic acid?
The canonical SMILES for 2-[10-[(2-methylpropan-2-yl)oxy]-10-oxodecoxy]acetic acid is CC(C)(C)OC(=O)CCCCCCCCCOCC(=O)O.
What is the InChIKey of 2-[10-[(2-methylpropan-2-yl)oxy]-10-oxodecoxy]acetic acid?
The InChIKey is JFAUFKRDIBFXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O5/c1-16(2,3)21-15(19)11-9-7-5-4-6-8-10-12-20-13-14(17)18/h4-13H2,1-3H3,(H,17,18).
What are the key properties of 2-[10-[(2-methylpropan-2-yl)oxy]-10-oxodecoxy]acetic acid?
2-[10-[(2-methylpropan-2-yl)oxy]-10-oxodecoxy]acetic acid has a molecular weight of 302.41 g/mol, XLogP of 3.55, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-[(2-methylpropan-2-yl)oxy]-10-oxodecoxy]acetic acid is sourced from PubChem (CID 167705812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).