2-[2-(10-ethyltetradecan-7-yloxy)ethoxy]ethyl 2-ethylhexanoate

C28H56O4 — CID 157022939

IUPAC2-[2-(10-ethyltetradecan-7-yloxy)ethoxy]ethyl 2-ethylhexanoate
SMILESCCCCCCC(CCC(CC)CCCC)OCCOCCOC(=O)C(CC)CCCC
InChIInChI=1S/C28H56O4/c1-6-11-14-15-18-27(20-19-25(9-4)16-12-7-2)31-23-21-30-22-24-32-28(29)26(10-5)17-13-8-3/h25-27H,6-24H2,1-5H3
InChIKeyWZCMTBGQVBJECF-UHFFFAOYSA-N
MW456.75 g/mol
LogP8.11
Rot. Bonds24

About 2-[2-(10-ethyltetradecan-7-yloxy)ethoxy]ethyl 2-ethylhexanoate

2-[2-(10-ethyltetradecan-7-yloxy)ethoxy]ethyl 2-ethylhexanoate (PubChem CID 157022939) has the molecular formula C28H56O4 and a molecular weight of 456.75 g/mol. Its IUPAC name is 2-[2-(10-ethyltetradecan-7-yloxy)ethoxy]ethyl 2-ethylhexanoate.

Molecular Properties

Compound Name2-[2-(10-ethyltetradecan-7-yloxy)ethoxy]ethyl 2-ethylhexanoate
PubChem CID157022939
Molecular FormulaC28H56O4
Molecular Weight456.75 g/mol
Exact Mass456.42
IUPAC Name2-[2-(10-ethyltetradecan-7-yloxy)ethoxy]ethyl 2-ethylhexanoate
SMILESCCCCCCC(CCC(CC)CCCC)OCCOCCOC(=O)C(CC)CCCC
InChIInChI=1S/C28H56O4/c1-6-11-14-15-18-27(20-19-25(9-4)16-12-7-2)31-23-21-30-22-24-32-28(29)26(10-5)17-13-8-3/h25-27H,6-24H2,1-5H3
InChIKeyWZCMTBGQVBJECF-UHFFFAOYSA-N
XLogP8.11
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.75
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-(10-ethyltetradecan-7-yloxy)ethoxy]ethyl 2-ethylhexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethylhexanoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-ethylhexanoate
CID 139595108
2-[2-[(2R)-2-ethylhexanoyl]oxyethoxy]ethyl (2S)-2-ethylhexanoate
CID 92855750
2-(2-hydroxyethoxy)ethyl 2-ethylhexanoate
CID 19879658
hexadecyl 2-ethyldecanoate
CID 22665192
decyl 2-ethyldecanoate
CID 22665194
2-heptylundecyl 2-ethylhexanoate
CID 88536856
2-pentylundecyl 2-ethylhexanoate
CID 11462797
ethyl 2-ethyldocosanoate
CID 175304380
3-[(2S)-2-ethylhexanoyl]oxypropyl (2R)-2-ethylhexanoate
CID 125473302
4-propoxybutyl 2-ethylhexanoate
CID 19804568
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecan-6-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 87268686
dodecan-5-yl 2-ethylhexanoate;ethoxyethane
CID 87601702

Frequently Asked Questions

What is the IUPAC name of 2-[2-(10-ethyltetradecan-7-yloxy)ethoxy]ethyl 2-ethylhexanoate?
The IUPAC name of 2-[2-(10-ethyltetradecan-7-yloxy)ethoxy]ethyl 2-ethylhexanoate (CID 157022939) is 2-[2-(10-ethyltetradecan-7-yloxy)ethoxy]ethyl 2-ethylhexanoate.
What is the SMILES notation for 2-[2-(10-ethyltetradecan-7-yloxy)ethoxy]ethyl 2-ethylhexanoate?
The canonical SMILES for 2-[2-(10-ethyltetradecan-7-yloxy)ethoxy]ethyl 2-ethylhexanoate is CCCCCCC(CCC(CC)CCCC)OCCOCCOC(=O)C(CC)CCCC.
What is the InChIKey of 2-[2-(10-ethyltetradecan-7-yloxy)ethoxy]ethyl 2-ethylhexanoate?
The InChIKey is WZCMTBGQVBJECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56O4/c1-6-11-14-15-18-27(20-19-25(9-4)16-12-7-2)31-23-21-30-22-24-32-28(29)26(10-5)17-13-8-3/h25-27H,6-24H2,1-5H3.
What are the key properties of 2-[2-(10-ethyltetradecan-7-yloxy)ethoxy]ethyl 2-ethylhexanoate?
2-[2-(10-ethyltetradecan-7-yloxy)ethoxy]ethyl 2-ethylhexanoate has a molecular weight of 456.75 g/mol, XLogP of 8.11, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(10-ethyltetradecan-7-yloxy)ethoxy]ethyl 2-ethylhexanoate is sourced from PubChem (CID 157022939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).