2-propan-2-yloxycarbonylpentyl 2-propylpentanoate

C17H32O4 — CID 54363914

IUPAC2-propan-2-yloxycarbonylpentyl 2-propylpentanoate
SMILESCCCC(CCC)C(=O)OCC(CCC)C(=O)OC(C)C
InChIInChI=1S/C17H32O4/c1-6-9-14(10-7-2)16(18)20-12-15(11-8-3)17(19)21-13(4)5/h13-15H,6-12H2,1-5H3
InChIKeyUOKRZUUGCFHRQJ-UHFFFAOYSA-N
MW300.44 g/mol
LogP4.11
Rot. Bonds11

About 2-propan-2-yloxycarbonylpentyl 2-propylpentanoate

2-propan-2-yloxycarbonylpentyl 2-propylpentanoate (PubChem CID 54363914) has the molecular formula C17H32O4 and a molecular weight of 300.44 g/mol. Its IUPAC name is 2-propan-2-yloxycarbonylpentyl 2-propylpentanoate.

Molecular Properties

Compound Name2-propan-2-yloxycarbonylpentyl 2-propylpentanoate
PubChem CID54363914
Molecular FormulaC17H32O4
Molecular Weight300.44 g/mol
Exact Mass300.23
IUPAC Name2-propan-2-yloxycarbonylpentyl 2-propylpentanoate
SMILESCCCC(CCC)C(=O)OCC(CCC)C(=O)OC(C)C
InChIInChI=1S/C17H32O4/c1-6-9-14(10-7-2)16(18)20-12-15(11-8-3)17(19)21-13(4)5/h13-15H,6-12H2,1-5H3
InChIKeyUOKRZUUGCFHRQJ-UHFFFAOYSA-N
XLogP4.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxycarbonylpentyl 2-propylpentanoate?
The IUPAC name of 2-propan-2-yloxycarbonylpentyl 2-propylpentanoate (CID 54363914) is 2-propan-2-yloxycarbonylpentyl 2-propylpentanoate.
What is the SMILES notation for 2-propan-2-yloxycarbonylpentyl 2-propylpentanoate?
The canonical SMILES for 2-propan-2-yloxycarbonylpentyl 2-propylpentanoate is CCCC(CCC)C(=O)OCC(CCC)C(=O)OC(C)C.
What is the InChIKey of 2-propan-2-yloxycarbonylpentyl 2-propylpentanoate?
The InChIKey is UOKRZUUGCFHRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O4/c1-6-9-14(10-7-2)16(18)20-12-15(11-8-3)17(19)21-13(4)5/h13-15H,6-12H2,1-5H3.
What are the key properties of 2-propan-2-yloxycarbonylpentyl 2-propylpentanoate?
2-propan-2-yloxycarbonylpentyl 2-propylpentanoate has a molecular weight of 300.44 g/mol, XLogP of 4.11, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxycarbonylpentyl 2-propylpentanoate is sourced from PubChem (CID 54363914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).