5-propyldecan-5-yl acetate

C15H30O2 — CID 172855546

IUPAC5-propyldecan-5-yl acetate
SMILESCCCCCC(CCC)(CCCC)OC(C)=O
InChIInChI=1S/C15H30O2/c1-5-8-10-13-15(11-7-3,12-9-6-2)17-14(4)16/h5-13H2,1-4H3
InChIKeyYQPMMNNTSQAWTH-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.86
Rot. Bonds10

About 5-propyldecan-5-yl acetate

5-propyldecan-5-yl acetate (PubChem CID 172855546) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 5-propyldecan-5-yl acetate.

Molecular Properties

Compound Name5-propyldecan-5-yl acetate
PubChem CID172855546
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name5-propyldecan-5-yl acetate
SMILESCCCCCC(CCC)(CCCC)OC(C)=O
InChIInChI=1S/C15H30O2/c1-5-8-10-13-15(11-7-3,12-9-6-2)17-14(4)16/h5-13H2,1-4H3
InChIKeyYQPMMNNTSQAWTH-UHFFFAOYSA-N
XLogP4.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.86
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

9-octyloctadecan-9-yl acetate
CID 87256953
13-dodecylpentacosan-13-yl acetate
CID 57064481
4-propylundecan-4-yl 2-methylprop-2-enoate
CID 164546631
(2-acetyloxy-2-ethylhexyl) acetate
CID 131843569
3-acetyloxyundecan-3-yl acetate
CID 138404207
bis(17-pentyltritriacontan-17-yl) hexanedioate
CID 90428517
2-acetyloxy-2-propyloctanoic acid
CID 175290994
5-butylnonan-5-yl methyl carbonate
CID 141441033
3-chlorooctan-3-yl acetate
CID 142628570
4-ethyloctan-4-yl 2-methylprop-2-enoate
CID 89044828
CID 87683180
CID 87683180
bis(5-butyldecan-5-yl) benzene-1,2-dicarboxylate
CID 70543205

Frequently Asked Questions

What is the IUPAC name of 5-propyldecan-5-yl acetate?
The IUPAC name of 5-propyldecan-5-yl acetate (CID 172855546) is 5-propyldecan-5-yl acetate.
What is the SMILES notation for 5-propyldecan-5-yl acetate?
The canonical SMILES for 5-propyldecan-5-yl acetate is CCCCCC(CCC)(CCCC)OC(C)=O.
What is the InChIKey of 5-propyldecan-5-yl acetate?
The InChIKey is YQPMMNNTSQAWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-5-8-10-13-15(11-7-3,12-9-6-2)17-14(4)16/h5-13H2,1-4H3.
What are the key properties of 5-propyldecan-5-yl acetate?
5-propyldecan-5-yl acetate has a molecular weight of 242.40 g/mol, XLogP of 4.86, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyldecan-5-yl acetate is sourced from PubChem (CID 172855546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).