2-[2-(prop-1-en-2-yloxymethoxy)ethoxy]ethyl formate

C9H16O5 — CID 21053366

IUPAC2-[2-(prop-1-en-2-yloxymethoxy)ethoxy]ethyl formate
SMILESC=C(C)OCOCCOCCOC=O
InChIInChI=1S/C9H16O5/c1-9(2)14-8-13-6-4-11-3-5-12-7-10/h7H,1,3-6,8H2,2H3
InChIKeyCAUKOVXPMLEJQS-UHFFFAOYSA-N
MW204.22 g/mol
LogP0.70
Rot. Bonds10

About 2-[2-(prop-1-en-2-yloxymethoxy)ethoxy]ethyl formate

2-[2-(prop-1-en-2-yloxymethoxy)ethoxy]ethyl formate (PubChem CID 21053366) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is 2-[2-(prop-1-en-2-yloxymethoxy)ethoxy]ethyl formate.

Molecular Properties

Compound Name2-[2-(prop-1-en-2-yloxymethoxy)ethoxy]ethyl formate
PubChem CID21053366
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name2-[2-(prop-1-en-2-yloxymethoxy)ethoxy]ethyl formate
SMILESC=C(C)OCOCCOCCOC=O
InChIInChI=1S/C9H16O5/c1-9(2)14-8-13-6-4-11-3-5-12-7-10/h7H,1,3-6,8H2,2H3
InChIKeyCAUKOVXPMLEJQS-UHFFFAOYSA-N
XLogP0.70
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(Methoxymethoxy)prop-2-enyl propan-2-yl carbonate
CID 15120453
1,3-Bis(prop-1-en-2-yloxymethoxy)propan-2-yl formate
CID 21053380
1-Ethoxyethyl prop-1-en-2-yl carbonate
CID 22267059
2-[1-Ethoxy-2-(2-ethoxyethoxy)ethoxy]prop-1-ene
CID 22491588
2-[1,1-Diethoxy-2-(2-ethoxyethoxy)ethoxy]prop-1-ene
CID 22491591
4-Methyl-1,3-dioxolan-2-one;2-prop-1-en-2-yloxyprop-1-ene
CID 66593448
2-Ethoxyethyl prop-1-en-2-yl carbonate
CID 87978732
2-(Prop-1-en-2-yloxymethoxy)ethyl acetate
CID 91012087
2-(1,1,2-Triethoxyethoxy)prop-1-ene
CID 91173831
2-(1,2,2,2-Tetraethoxyethoxy)prop-1-ene
CID 91268016
2-(1,2-Diethoxyethoxy)prop-1-ene
CID 91357896
2-[1,2,2-Tris(prop-1-en-2-yloxy)ethoxy]prop-1-ene
CID 139923929

Frequently Asked Questions

What is the IUPAC name of 2-[2-(prop-1-en-2-yloxymethoxy)ethoxy]ethyl formate?
The IUPAC name of 2-[2-(prop-1-en-2-yloxymethoxy)ethoxy]ethyl formate (CID 21053366) is 2-[2-(prop-1-en-2-yloxymethoxy)ethoxy]ethyl formate.
What is the SMILES notation for 2-[2-(prop-1-en-2-yloxymethoxy)ethoxy]ethyl formate?
The canonical SMILES for 2-[2-(prop-1-en-2-yloxymethoxy)ethoxy]ethyl formate is C=C(C)OCOCCOCCOC=O.
What is the InChIKey of 2-[2-(prop-1-en-2-yloxymethoxy)ethoxy]ethyl formate?
The InChIKey is CAUKOVXPMLEJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5/c1-9(2)14-8-13-6-4-11-3-5-12-7-10/h7H,1,3-6,8H2,2H3.
What are the key properties of 2-[2-(prop-1-en-2-yloxymethoxy)ethoxy]ethyl formate?
2-[2-(prop-1-en-2-yloxymethoxy)ethoxy]ethyl formate has a molecular weight of 204.22 g/mol, XLogP of 0.70, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(prop-1-en-2-yloxymethoxy)ethoxy]ethyl formate is sourced from PubChem (CID 21053366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).