2-[2-(1,1-dicyclopentyloxyethoxy)ethoxy]ethyl prop-2-enoate

C19H32O6 — CID 68715818

IUPAC2-[2-(1,1-dicyclopentyloxyethoxy)ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCOC(C)(OC1CCCC1)OC1CCCC1
InChIInChI=1S/C19H32O6/c1-3-18(20)22-14-12-21-13-15-23-19(2,24-16-8-4-5-9-16)25-17-10-6-7-11-17/h3,16-17H,1,4-15H2,2H3
InChIKeyVOOWGKKPXBKPBJ-UHFFFAOYSA-N
MW356.46 g/mol
LogP3.34
Rot. Bonds12

About 2-[2-(1,1-dicyclopentyloxyethoxy)ethoxy]ethyl prop-2-enoate

2-[2-(1,1-dicyclopentyloxyethoxy)ethoxy]ethyl prop-2-enoate (PubChem CID 68715818) has the molecular formula C19H32O6 and a molecular weight of 356.46 g/mol. Its IUPAC name is 2-[2-(1,1-dicyclopentyloxyethoxy)ethoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-(1,1-dicyclopentyloxyethoxy)ethoxy]ethyl prop-2-enoate
PubChem CID68715818
Molecular FormulaC19H32O6
Molecular Weight356.46 g/mol
Exact Mass356.22
IUPAC Name2-[2-(1,1-dicyclopentyloxyethoxy)ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCOC(C)(OC1CCCC1)OC1CCCC1
InChIInChI=1S/C19H32O6/c1-3-18(20)22-14-12-21-13-15-23-19(2,24-16-8-4-5-9-16)25-17-10-6-7-11-17/h3,16-17H,1,4-15H2,2H3
InChIKeyVOOWGKKPXBKPBJ-UHFFFAOYSA-N
XLogP3.34
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[6-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 101134249
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 11083788
2-docosoxyethyl prop-2-enoate
CID 87118947
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl prop-2-enoate
CID 135130326
2-[2-[3-methyl-4-(2-prop-2-enoyloxyethoxy)-3-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethoxy]ethyl prop-2-enoate
CID 176764617
3-[2-[2-(3-prop-2-enoyloxypropoxy)ethoxy]ethoxy]propyl prop-2-enoate
CID 151846925
2-[6-(2-prop-2-enoyloxyethoxy)hexoxy]ethyl propanoate
CID 153320146
2-(3-hydroxypropoxy)ethyl prop-2-enoate
CID 59345604
2-[3-(2-prop-2-enoyloxyethoxy)-2-[[3-(2-prop-2-enoyloxyethoxy)-2,2-bis(2-prop-2-enoyloxyethoxymethyl)propoxy]methyl]-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]ethyl prop-2-enoate
CID 59702805
2-[2-(2-prop-1-en-2-yloxyethoxy)ethoxy]ethyl prop-2-enoate
CID 141287577
2-[2-[[2,3-bis(2-prop-2-enoyloxyethoxy)-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]methyl]-3-(2-prop-2-enoyloxyethoxy)-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]ethyl prop-2-enoate
CID 153437131
cyclohexyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate
CID 159401375

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,1-dicyclopentyloxyethoxy)ethoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[2-(1,1-dicyclopentyloxyethoxy)ethoxy]ethyl prop-2-enoate (CID 68715818) is 2-[2-(1,1-dicyclopentyloxyethoxy)ethoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2-(1,1-dicyclopentyloxyethoxy)ethoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[2-(1,1-dicyclopentyloxyethoxy)ethoxy]ethyl prop-2-enoate is C=CC(=O)OCCOCCOC(C)(OC1CCCC1)OC1CCCC1.
What is the InChIKey of 2-[2-(1,1-dicyclopentyloxyethoxy)ethoxy]ethyl prop-2-enoate?
The InChIKey is VOOWGKKPXBKPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O6/c1-3-18(20)22-14-12-21-13-15-23-19(2,24-16-8-4-5-9-16)25-17-10-6-7-11-17/h3,16-17H,1,4-15H2,2H3.
What are the key properties of 2-[2-(1,1-dicyclopentyloxyethoxy)ethoxy]ethyl prop-2-enoate?
2-[2-(1,1-dicyclopentyloxyethoxy)ethoxy]ethyl prop-2-enoate has a molecular weight of 356.46 g/mol, XLogP of 3.34, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,1-dicyclopentyloxyethoxy)ethoxy]ethyl prop-2-enoate is sourced from PubChem (CID 68715818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).