2-propan-2-yloxypropane;tetradecanoic acid

C20H42O3 — CID 172837764

IUPAC2-propan-2-yloxypropane;tetradecanoic acid
SMILESCC(C)OC(C)C.CCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C14H28O2.C6H14O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-5(2)7-6(3)4/h2-13H2,1H3,(H,15,16);5-6H,1-4H3
InChIKeyWJQCKELOIUXQQR-UHFFFAOYSA-N
MW330.55 g/mol
LogP6.59
Rot. Bonds14

About 2-propan-2-yloxypropane;tetradecanoic acid

2-propan-2-yloxypropane;tetradecanoic acid (PubChem CID 172837764) has the molecular formula C20H42O3 and a molecular weight of 330.55 g/mol. Its IUPAC name is 2-propan-2-yloxypropane;tetradecanoic acid.

Molecular Properties

Compound Name2-propan-2-yloxypropane;tetradecanoic acid
PubChem CID172837764
Molecular FormulaC20H42O3
Molecular Weight330.55 g/mol
Exact Mass330.31
IUPAC Name2-propan-2-yloxypropane;tetradecanoic acid
SMILESCC(C)OC(C)C.CCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C14H28O2.C6H14O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-5(2)7-6(3)4/h2-13H2,1H3,(H,15,16);5-6H,1-4H3
InChIKeyWJQCKELOIUXQQR-UHFFFAOYSA-N
XLogP6.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.55
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912
dodecanoic acid
CID 158187269

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxypropane;tetradecanoic acid?
The IUPAC name of 2-propan-2-yloxypropane;tetradecanoic acid (CID 172837764) is 2-propan-2-yloxypropane;tetradecanoic acid.
What is the SMILES notation for 2-propan-2-yloxypropane;tetradecanoic acid?
The canonical SMILES for 2-propan-2-yloxypropane;tetradecanoic acid is CC(C)OC(C)C.CCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 2-propan-2-yloxypropane;tetradecanoic acid?
The InChIKey is WJQCKELOIUXQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2.C6H14O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-5(2)7-6(3)4/h2-13H2,1H3,(H,15,16);5-6H,1-4H3.
What are the key properties of 2-propan-2-yloxypropane;tetradecanoic acid?
2-propan-2-yloxypropane;tetradecanoic acid has a molecular weight of 330.55 g/mol, XLogP of 6.59, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxypropane;tetradecanoic acid is sourced from PubChem (CID 172837764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).