ethyl 2,4-di(propan-2-yl)tetradecanoate

C22H44O2 — CID 175399159

IUPACethyl 2,4-di(propan-2-yl)tetradecanoate
SMILESCCCCCCCCCCC(CC(C(=O)OCC)C(C)C)C(C)C
InChIInChI=1S/C22H44O2/c1-7-9-10-11-12-13-14-15-16-20(18(3)4)17-21(19(5)6)22(23)24-8-2/h18-21H,7-17H2,1-6H3
InChIKeyOYNVPBKCOXUWMR-UHFFFAOYSA-N
MW340.59 g/mol
LogP7.01
Rot. Bonds15

About ethyl 2,4-di(propan-2-yl)tetradecanoate

ethyl 2,4-di(propan-2-yl)tetradecanoate (PubChem CID 175399159) has the molecular formula C22H44O2 and a molecular weight of 340.59 g/mol. Its IUPAC name is ethyl 2,4-di(propan-2-yl)tetradecanoate.

Molecular Properties

Compound Nameethyl 2,4-di(propan-2-yl)tetradecanoate
PubChem CID175399159
Molecular FormulaC22H44O2
Molecular Weight340.59 g/mol
Exact Mass340.33
IUPAC Nameethyl 2,4-di(propan-2-yl)tetradecanoate
SMILESCCCCCCCCCCC(CC(C(=O)OCC)C(C)C)C(C)C
InChIInChI=1S/C22H44O2/c1-7-9-10-11-12-13-14-15-16-20(18(3)4)17-21(19(5)6)22(23)24-8-2/h18-21H,7-17H2,1-6H3
InChIKeyOYNVPBKCOXUWMR-UHFFFAOYSA-N
XLogP7.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.59
LogP ≤ 57.01
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

diethyl (2S,3R)-2-hydroxy-3-tetracosylbutanedioate
CID 57333842
ethyl 3-hydroxy-2-propan-2-yldecanoate
CID 15441038
carbamic acid;undecan-2-amine
CID 175209089
ethyl 3-hydroxy-2-octyltetradecanoate
CID 175541999
acetic acid;ethyl 2-methyldecanoate
CID 175237590
methyl 2-propan-2-yltetradecanoate
CID 118450856
diethyl 2-octan-3-ylbutanedioate
CID 174947656
3-ethoxycarbonyl-4-methyloctadecanoic acid
CID 174727043
8-propan-2-ylpentadecane
CID 153475308
6-propan-2-yltridecane
CID 123704479
propanoic acid;tetradecan-2-amine
CID 173174901
4-methyl-2-propan-2-yltetradecanoic acid
CID 23394746

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-di(propan-2-yl)tetradecanoate?
The IUPAC name of ethyl 2,4-di(propan-2-yl)tetradecanoate (CID 175399159) is ethyl 2,4-di(propan-2-yl)tetradecanoate.
What is the SMILES notation for ethyl 2,4-di(propan-2-yl)tetradecanoate?
The canonical SMILES for ethyl 2,4-di(propan-2-yl)tetradecanoate is CCCCCCCCCCC(CC(C(=O)OCC)C(C)C)C(C)C.
What is the InChIKey of ethyl 2,4-di(propan-2-yl)tetradecanoate?
The InChIKey is OYNVPBKCOXUWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O2/c1-7-9-10-11-12-13-14-15-16-20(18(3)4)17-21(19(5)6)22(23)24-8-2/h18-21H,7-17H2,1-6H3.
What are the key properties of ethyl 2,4-di(propan-2-yl)tetradecanoate?
ethyl 2,4-di(propan-2-yl)tetradecanoate has a molecular weight of 340.59 g/mol, XLogP of 7.01, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-di(propan-2-yl)tetradecanoate is sourced from PubChem (CID 175399159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).