2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 3,5,5-trimethylhexanoate

C19H38O7 — CID 89103547

IUPAC2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 3,5,5-trimethylhexanoate
SMILESCC(CC(=O)OCCOCCOCCOCCOCCO)CC(C)(C)C
InChIInChI=1S/C19H38O7/c1-17(16-19(2,3)4)15-18(21)26-14-13-25-12-11-24-10-9-23-8-7-22-6-5-20/h17,20H,5-16H2,1-4H3
InChIKeyISXDFBDVDMKRFZ-UHFFFAOYSA-N
MW378.51 g/mol
LogP2.05
Rot. Bonds17

About 2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 3,5,5-trimethylhexanoate

2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 3,5,5-trimethylhexanoate (PubChem CID 89103547) has the molecular formula C19H38O7 and a molecular weight of 378.51 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 3,5,5-trimethylhexanoate.

Molecular Properties

Compound Name2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 3,5,5-trimethylhexanoate
PubChem CID89103547
Molecular FormulaC19H38O7
Molecular Weight378.51 g/mol
Exact Mass378.26
IUPAC Name2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 3,5,5-trimethylhexanoate
SMILESCC(CC(=O)OCCOCCOCCOCCOCCO)CC(C)(C)C
InChIInChI=1S/C19H38O7/c1-17(16-19(2,3)4)15-18(21)26-14-13-25-12-11-24-10-9-23-8-7-22-6-5-20/h17,20H,5-16H2,1-4H3
InChIKeyISXDFBDVDMKRFZ-UHFFFAOYSA-N
XLogP2.05
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5,5-trimethylhexanoyloxy)ethyl 3,5,5-trimethylhexanoate
CID 91728705
2-methoxyethyl 3,5,5-trimethylhexanoate
CID 91693891
2-(3,5,5-trimethylhexoxy)ethanol
CID 54373855
2-[2-[2-(3,5,5-trimethylhexoxy)ethoxy]ethoxy]ethanol
CID 545734
[(3R)-3,5,5-trimethylhexanoyl] (3S)-3,5,5-trimethylhexaneperoxoate
CID 98080102
tetradecyl 3,5,5-trimethylhexanoate
CID 91693568
[2-hydroxy-3-[(3R)-3,5,5-trimethylhexanoyl]oxypropyl] (3R)-3,5,5-trimethylhexanoate
CID 93484834
2-(2-hydroxyethoxy)ethyl 2,2,3-trimethylbutanoate
CID 89246504
2-(2-hydroxyethoxy)ethyl (2S)-2-aminopropanoate
CID 131864159
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2,2-dimethylpropanoate
CID 154107632
3,5,5-trimethylhexyl 4-[2-(2-butoxyethoxy)ethoxy]butanoate
CID 121470294
3,5,5-trimethylhexyl 4-[2-(2-octoxyethoxy)ethoxy]butanoate
CID 121470332

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 3,5,5-trimethylhexanoate?
The IUPAC name of 2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 3,5,5-trimethylhexanoate (CID 89103547) is 2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 3,5,5-trimethylhexanoate.
What is the SMILES notation for 2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 3,5,5-trimethylhexanoate?
The canonical SMILES for 2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 3,5,5-trimethylhexanoate is CC(CC(=O)OCCOCCOCCOCCOCCO)CC(C)(C)C.
What is the InChIKey of 2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 3,5,5-trimethylhexanoate?
The InChIKey is ISXDFBDVDMKRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O7/c1-17(16-19(2,3)4)15-18(21)26-14-13-25-12-11-24-10-9-23-8-7-22-6-5-20/h17,20H,5-16H2,1-4H3.
What are the key properties of 2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 3,5,5-trimethylhexanoate?
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 3,5,5-trimethylhexanoate has a molecular weight of 378.51 g/mol, XLogP of 2.05, 17 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 3,5,5-trimethylhexanoate is sourced from PubChem (CID 89103547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).