(3-ethyl-2,3-dimethyldecan-2-yl) propanoate

C17H34O2 — CID 144520878

IUPAC(3-ethyl-2,3-dimethyldecan-2-yl) propanoate
SMILESCCCCCCCC(C)(CC)C(C)(C)OC(=O)CC
InChIInChI=1S/C17H34O2/c1-7-10-11-12-13-14-17(6,9-3)16(4,5)19-15(18)8-2/h7-14H2,1-6H3
InChIKeyKCKNJNBPGBDYFF-UHFFFAOYSA-N
MW270.46 g/mol
LogP5.49
Rot. Bonds10

About (3-ethyl-2,3-dimethyldecan-2-yl) propanoate

(3-ethyl-2,3-dimethyldecan-2-yl) propanoate (PubChem CID 144520878) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is (3-ethyl-2,3-dimethyldecan-2-yl) propanoate.

Molecular Properties

Compound Name(3-ethyl-2,3-dimethyldecan-2-yl) propanoate
PubChem CID144520878
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name(3-ethyl-2,3-dimethyldecan-2-yl) propanoate
SMILESCCCCCCCC(C)(CC)C(C)(C)OC(=O)CC
InChIInChI=1S/C17H34O2/c1-7-10-11-12-13-14-17(6,9-3)16(4,5)19-15(18)8-2/h7-14H2,1-6H3
InChIKeyKCKNJNBPGBDYFF-UHFFFAOYSA-N
XLogP5.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.49
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

(2S)-2-hexyl-2-methyldecanethioic S-acid
CID 54063202
ditert-butyl 2,2-di(tetradecyl)propanedioate
CID 164541291
(3S)-3-ethyl-3-methylnonan-2-one
CID 177059310
9-methylnonadecan-9-yl octadecanoate
CID 87086259
4-formylnonan-4-yl propanoate
CID 173379804
2-decyl-2-methyltetradecanoic acid
CID 611890
2-decyl-2-methylicosanoic acid
CID 174997379
2-hexyl-2-methyldecanoic acid
CID 86051716
5,5-dimethyldecyl propanoate
CID 155717972
methyl 5,5-dimethylundecanoate
CID 138647692
azane;(3-hydroxy-2,3-dimethylbutan-2-yl) octanoate
CID 87187360
3-ethyloctan-3-yl hexadecanoate
CID 141194185

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2,3-dimethyldecan-2-yl) propanoate?
The IUPAC name of (3-ethyl-2,3-dimethyldecan-2-yl) propanoate (CID 144520878) is (3-ethyl-2,3-dimethyldecan-2-yl) propanoate.
What is the SMILES notation for (3-ethyl-2,3-dimethyldecan-2-yl) propanoate?
The canonical SMILES for (3-ethyl-2,3-dimethyldecan-2-yl) propanoate is CCCCCCCC(C)(CC)C(C)(C)OC(=O)CC.
What is the InChIKey of (3-ethyl-2,3-dimethyldecan-2-yl) propanoate?
The InChIKey is KCKNJNBPGBDYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-7-10-11-12-13-14-17(6,9-3)16(4,5)19-15(18)8-2/h7-14H2,1-6H3.
What are the key properties of (3-ethyl-2,3-dimethyldecan-2-yl) propanoate?
(3-ethyl-2,3-dimethyldecan-2-yl) propanoate has a molecular weight of 270.46 g/mol, XLogP of 5.49, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2,3-dimethyldecan-2-yl) propanoate is sourced from PubChem (CID 144520878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).