2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethyl cyclohexanecarboxylate

C16H28O5 — CID 70391446

IUPAC2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethyl cyclohexanecarboxylate
SMILESC=CCOCCOCCOCCOC(=O)C1CCCCC1
InChIInChI=1S/C16H28O5/c1-2-8-18-9-10-19-11-12-20-13-14-21-16(17)15-6-4-3-5-7-15/h2,15H,1,3-14H2
InChIKeyOXQWRQCXFKAHEG-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.35
Rot. Bonds12

About 2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethyl cyclohexanecarboxylate

2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethyl cyclohexanecarboxylate (PubChem CID 70391446) has the molecular formula C16H28O5 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethyl cyclohexanecarboxylate.

Molecular Properties

Compound Name2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethyl cyclohexanecarboxylate
PubChem CID70391446
Molecular FormulaC16H28O5
Molecular Weight300.40 g/mol
Exact Mass300.19
IUPAC Name2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethyl cyclohexanecarboxylate
SMILESC=CCOCCOCCOCCOC(=O)C1CCCCC1
InChIInChI=1S/C16H28O5/c1-2-8-18-9-10-19-11-12-20-13-14-21-16(17)15-6-4-3-5-7-15/h2,15H,1,3-14H2
InChIKeyOXQWRQCXFKAHEG-UHFFFAOYSA-N
XLogP2.35
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl cyclododecanecarboxylate
CID 139624721
2-propoxyethyl cyclohexanecarboxylate
CID 66700127
2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclobutanecarboxylate
CID 10192770
2-(2-methylpropoxy)ethyl cyclohexanecarboxylate
CID 59197441
2-aminoethyl cyclohexanecarboxylate;hydrochloride
CID 67519694
2-[2-(butylamino)ethoxy]ethyl cyclohexanecarboxylate
CID 82532258
2-[bis[2-(cyclohexanecarbonyloxy)ethyl]amino]ethyl cyclohexanecarboxylate
CID 59203981
bis(prop-2-enyl) cyclohexane-1,3-dicarboxylate
CID 22715247
2-methoxyethoxymethyl cyclohexanecarboxylate
CID 11287380
2-(2-prop-2-enoxyethoxy)ethyl acetate
CID 525147
2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethyl acetate
CID 525183
2-(cyclohexanecarbonyloxy)ethanesulfonic acid
CID 59360397

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethyl cyclohexanecarboxylate?
The IUPAC name of 2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethyl cyclohexanecarboxylate (CID 70391446) is 2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethyl cyclohexanecarboxylate.
What is the SMILES notation for 2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethyl cyclohexanecarboxylate?
The canonical SMILES for 2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethyl cyclohexanecarboxylate is C=CCOCCOCCOCCOC(=O)C1CCCCC1.
What is the InChIKey of 2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethyl cyclohexanecarboxylate?
The InChIKey is OXQWRQCXFKAHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O5/c1-2-8-18-9-10-19-11-12-20-13-14-21-16(17)15-6-4-3-5-7-15/h2,15H,1,3-14H2.
What are the key properties of 2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethyl cyclohexanecarboxylate?
2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethyl cyclohexanecarboxylate has a molecular weight of 300.40 g/mol, XLogP of 2.35, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethyl cyclohexanecarboxylate is sourced from PubChem (CID 70391446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).