propan-2-yl 2,2,3-tri(propan-2-yl)dodecanoate

C24H48O2 — CID 174765614

IUPACpropan-2-yl 2,2,3-tri(propan-2-yl)dodecanoate
SMILESCCCCCCCCCC(C(C)C)C(C(=O)OC(C)C)(C(C)C)C(C)C
InChIInChI=1S/C24H48O2/c1-10-11-12-13-14-15-16-17-22(18(2)3)24(19(4)5,20(6)7)23(25)26-21(8)9/h18-22H,10-17H2,1-9H3
InChIKeyJFURXLAFGHUJTG-UHFFFAOYSA-N
MW368.65 g/mol
LogP7.65
Rot. Bonds14

About propan-2-yl 2,2,3-tri(propan-2-yl)dodecanoate

propan-2-yl 2,2,3-tri(propan-2-yl)dodecanoate (PubChem CID 174765614) has the molecular formula C24H48O2 and a molecular weight of 368.65 g/mol. Its IUPAC name is propan-2-yl 2,2,3-tri(propan-2-yl)dodecanoate.

Molecular Properties

Compound Namepropan-2-yl 2,2,3-tri(propan-2-yl)dodecanoate
PubChem CID174765614
Molecular FormulaC24H48O2
Molecular Weight368.65 g/mol
Exact Mass368.37
IUPAC Namepropan-2-yl 2,2,3-tri(propan-2-yl)dodecanoate
SMILESCCCCCCCCCC(C(C)C)C(C(=O)OC(C)C)(C(C)C)C(C)C
InChIInChI=1S/C24H48O2/c1-10-11-12-13-14-15-16-17-22(18(2)3)24(19(4)5,20(6)7)23(25)26-21(8)9/h18-22H,10-17H2,1-9H3
InChIKeyJFURXLAFGHUJTG-UHFFFAOYSA-N
XLogP7.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.65
LogP ≤ 57.65
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2,2,3-tri(propan-2-yl)dodecanoate?
The IUPAC name of propan-2-yl 2,2,3-tri(propan-2-yl)dodecanoate (CID 174765614) is propan-2-yl 2,2,3-tri(propan-2-yl)dodecanoate.
What is the SMILES notation for propan-2-yl 2,2,3-tri(propan-2-yl)dodecanoate?
The canonical SMILES for propan-2-yl 2,2,3-tri(propan-2-yl)dodecanoate is CCCCCCCCCC(C(C)C)C(C(=O)OC(C)C)(C(C)C)C(C)C.
What is the InChIKey of propan-2-yl 2,2,3-tri(propan-2-yl)dodecanoate?
The InChIKey is JFURXLAFGHUJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O2/c1-10-11-12-13-14-15-16-17-22(18(2)3)24(19(4)5,20(6)7)23(25)26-21(8)9/h18-22H,10-17H2,1-9H3.
What are the key properties of propan-2-yl 2,2,3-tri(propan-2-yl)dodecanoate?
propan-2-yl 2,2,3-tri(propan-2-yl)dodecanoate has a molecular weight of 368.65 g/mol, XLogP of 7.65, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2,2,3-tri(propan-2-yl)dodecanoate is sourced from PubChem (CID 174765614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).