5,5-dimethyldecyl propanoate

C15H30O2 — CID 155717972

IUPAC5,5-dimethyldecyl propanoate
SMILESCCCCCC(C)(C)CCCCOC(=O)CC
InChIInChI=1S/C15H30O2/c1-5-7-8-11-15(3,4)12-9-10-13-17-14(16)6-2/h5-13H2,1-4H3
InChIKeyMRAIGFCYUBXRFT-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.72
Rot. Bonds10

About 5,5-dimethyldecyl propanoate

5,5-dimethyldecyl propanoate (PubChem CID 155717972) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 5,5-dimethyldecyl propanoate.

Molecular Properties

Compound Name5,5-dimethyldecyl propanoate
PubChem CID155717972
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name5,5-dimethyldecyl propanoate
SMILESCCCCCC(C)(C)CCCCOC(=O)CC
InChIInChI=1S/C15H30O2/c1-5-7-8-11-15(3,4)12-9-10-13-17-14(16)6-2/h5-13H2,1-4H3
InChIKeyMRAIGFCYUBXRFT-UHFFFAOYSA-N
XLogP4.72
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 ≤ 54.72
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

pentyl propanoate;hydrofluoride
CID 174645674
octyl propanoate;propanoic acid
CID 87090257
2,2-bis(hydroxymethyl)propane-1,3-diol;decyl propanoate
CID 158250624
pentyl 6-amino-4,4-dimethylhexanoate
CID 65285428
14-propanoyloxytetradecyl propanoate
CID 100931915
azane;dodecyl propanoate;propanoic acid
CID 87327250
butane-2,3-diol;pentyl propanoate
CID 21327819
decyl 6,6-dimethylheptanoate
CID 141285002
[(E)-hexadec-5-enyl] propanoate
CID 23434883
pentyl 4-amino-4-methylpentanoate
CID 62048190
octadecyl 4,4-dimethylpentanoate
CID 174604601
pentyl 3-amino-3-methylbutanoate
CID 64701395

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyldecyl propanoate?
The IUPAC name of 5,5-dimethyldecyl propanoate (CID 155717972) is 5,5-dimethyldecyl propanoate.
What is the SMILES notation for 5,5-dimethyldecyl propanoate?
The canonical SMILES for 5,5-dimethyldecyl propanoate is CCCCCC(C)(C)CCCCOC(=O)CC.
What is the InChIKey of 5,5-dimethyldecyl propanoate?
The InChIKey is MRAIGFCYUBXRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-5-7-8-11-15(3,4)12-9-10-13-17-14(16)6-2/h5-13H2,1-4H3.
What are the key properties of 5,5-dimethyldecyl propanoate?
5,5-dimethyldecyl propanoate has a molecular weight of 242.40 g/mol, XLogP of 4.72, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyldecyl propanoate is sourced from PubChem (CID 155717972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).