propan-2-yl tetradecanoate

C17H34O2 — CID 8042

IUPACpropan-2-yl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC(C)C
InChIInChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H3
InChIKeyAXISYYRBXTVTFY-UHFFFAOYSA-N
MW270.46 g/mol
LogP5.64
Rot. Bonds13

About propan-2-yl tetradecanoate

propan-2-yl tetradecanoate (PubChem CID 8042) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is propan-2-yl tetradecanoate.

Molecular Properties

Compound Namepropan-2-yl tetradecanoate
PubChem CID8042
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Namepropan-2-yl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC(C)C
InChIInChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H3
InChIKeyAXISYYRBXTVTFY-UHFFFAOYSA-N
XLogP5.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl tetradecanoate?
The IUPAC name of propan-2-yl tetradecanoate (CID 8042) is propan-2-yl tetradecanoate.
What is the SMILES notation for propan-2-yl tetradecanoate?
The canonical SMILES for propan-2-yl tetradecanoate is CCCCCCCCCCCCCC(=O)OC(C)C.
What is the InChIKey of propan-2-yl tetradecanoate?
The InChIKey is AXISYYRBXTVTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H3.
What are the key properties of propan-2-yl tetradecanoate?
propan-2-yl tetradecanoate has a molecular weight of 270.46 g/mol, XLogP of 5.64, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl tetradecanoate is sourced from PubChem (CID 8042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).