3-[2-(2-prop-2-enoxycarbonyloxyethoxy)ethoxycarbonyloxy]propyl prop-2-enyl carbonate

C16H24O10 — CID 23533996

IUPAC3-[2-(2-prop-2-enoxycarbonyloxyethoxy)ethoxycarbonyloxy]propyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OCCCOC(=O)OCCOCCOC(=O)OCC=C
InChIInChI=1S/C16H24O10/c1-3-6-21-14(17)23-8-5-9-24-16(19)26-13-11-20-10-12-25-15(18)22-7-4-2/h3-4H,1-2,5-13H2
InChIKeyJPWPQQGBWMFBAH-UHFFFAOYSA-N
MW376.36 g/mol
LogP2.22
Rot. Bonds14

About 3-[2-(2-prop-2-enoxycarbonyloxyethoxy)ethoxycarbonyloxy]propyl prop-2-enyl carbonate

3-[2-(2-prop-2-enoxycarbonyloxyethoxy)ethoxycarbonyloxy]propyl prop-2-enyl carbonate (PubChem CID 23533996) has the molecular formula C16H24O10 and a molecular weight of 376.36 g/mol. Its IUPAC name is 3-[2-(2-prop-2-enoxycarbonyloxyethoxy)ethoxycarbonyloxy]propyl prop-2-enyl carbonate.

Molecular Properties

Compound Name3-[2-(2-prop-2-enoxycarbonyloxyethoxy)ethoxycarbonyloxy]propyl prop-2-enyl carbonate
PubChem CID23533996
Molecular FormulaC16H24O10
Molecular Weight376.36 g/mol
Exact Mass376.14
IUPAC Name3-[2-(2-prop-2-enoxycarbonyloxyethoxy)ethoxycarbonyloxy]propyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OCCCOC(=O)OCCOCCOC(=O)OCC=C
InChIInChI=1S/C16H24O10/c1-3-6-21-14(17)23-8-5-9-24-16(19)26-13-11-20-10-12-25-15(18)22-7-4-2/h3-4H,1-2,5-13H2
InChIKeyJPWPQQGBWMFBAH-UHFFFAOYSA-N
XLogP2.22
TPSA115.82 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-carboxyoxyethoxy)ethyl prop-2-enyl carbonate
CID 87661731
2-[2-(2-hydroxyethoxy)ethoxy]ethyl prop-2-enyl carbonate
CID 91326710
ethene;2-prop-2-enoxycarbonyloxyethyl prop-2-enyl carbonate
CID 22459483
bis(prop-2-enyl) carbonate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 22918048
CID 140777128
CID 140777128
bis(prop-2-enyl) carbonate;ethene
CID 87465968
6-bromohexyl prop-2-enyl carbonate
CID 10890766
3-(2-methoxyethoxy)propyl 2-methoxyethyl carbonate
CID 87247503
2-prop-2-enoxycarbonyloxyethyl 2-methylprop-2-enoate
CID 88775356
3-[2-[2-(3-prop-2-enoyloxypropoxy)ethoxy]ethoxy]propyl prop-2-enoate
CID 151846925
bis(prop-2-enyl) carbonate;isocyanic acid
CID 88769513
2-(2-prop-2-enoxyethoxy)ethyl acetate
CID 525147

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-prop-2-enoxycarbonyloxyethoxy)ethoxycarbonyloxy]propyl prop-2-enyl carbonate?
The IUPAC name of 3-[2-(2-prop-2-enoxycarbonyloxyethoxy)ethoxycarbonyloxy]propyl prop-2-enyl carbonate (CID 23533996) is 3-[2-(2-prop-2-enoxycarbonyloxyethoxy)ethoxycarbonyloxy]propyl prop-2-enyl carbonate.
What is the SMILES notation for 3-[2-(2-prop-2-enoxycarbonyloxyethoxy)ethoxycarbonyloxy]propyl prop-2-enyl carbonate?
The canonical SMILES for 3-[2-(2-prop-2-enoxycarbonyloxyethoxy)ethoxycarbonyloxy]propyl prop-2-enyl carbonate is C=CCOC(=O)OCCCOC(=O)OCCOCCOC(=O)OCC=C.
What is the InChIKey of 3-[2-(2-prop-2-enoxycarbonyloxyethoxy)ethoxycarbonyloxy]propyl prop-2-enyl carbonate?
The InChIKey is JPWPQQGBWMFBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O10/c1-3-6-21-14(17)23-8-5-9-24-16(19)26-13-11-20-10-12-25-15(18)22-7-4-2/h3-4H,1-2,5-13H2.
What are the key properties of 3-[2-(2-prop-2-enoxycarbonyloxyethoxy)ethoxycarbonyloxy]propyl prop-2-enyl carbonate?
3-[2-(2-prop-2-enoxycarbonyloxyethoxy)ethoxycarbonyloxy]propyl prop-2-enyl carbonate has a molecular weight of 376.36 g/mol, XLogP of 2.22, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-prop-2-enoxycarbonyloxyethoxy)ethoxycarbonyloxy]propyl prop-2-enyl carbonate is sourced from PubChem (CID 23533996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).