1-(2-hexoxyethoxy)ethyl formate

C11H22O4 — CID 173130576

IUPAC1-(2-hexoxyethoxy)ethyl formate
SMILESCCCCCCOCCOC(C)OC=O
InChIInChI=1S/C11H22O4/c1-3-4-5-6-7-13-8-9-14-11(2)15-10-12/h10-11H,3-9H2,1-2H3
InChIKeyDTUMQIDENPAWMZ-UHFFFAOYSA-N
MW218.29 g/mol
LogP2.12
Rot. Bonds11

About 1-(2-hexoxyethoxy)ethyl formate

1-(2-hexoxyethoxy)ethyl formate (PubChem CID 173130576) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 1-(2-hexoxyethoxy)ethyl formate.

Molecular Properties

Compound Name1-(2-hexoxyethoxy)ethyl formate
PubChem CID173130576
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name1-(2-hexoxyethoxy)ethyl formate
SMILESCCCCCCOCCOC(C)OC=O
InChIInChI=1S/C11H22O4/c1-3-4-5-6-7-13-8-9-14-11(2)15-10-12/h10-11H,3-9H2,1-2H3
InChIKeyDTUMQIDENPAWMZ-UHFFFAOYSA-N
XLogP2.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

1-pentoxypropan-2-yl formate
CID 54282831
1-[2-(2,2,2-trichloroethoxy)ethoxy]ethyl formate
CID 90948172
bis[1-(2-hexoxyethoxy)ethyl] hexanedioate
CID 87924919
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octadecane
CID 86345710
1-(2-octoxyethoxy)octane
CID 12711862
1-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151767279
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953
1-[2-(2-heptoxyethoxy)ethoxy]heptane
CID 14402381
1-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]octane
CID 86197097
1-(2-decoxyethoxy)decane
CID 14009354
1-(2-nonoxyethoxy)nonane
CID 87982931

Frequently Asked Questions

What is the IUPAC name of 1-(2-hexoxyethoxy)ethyl formate?
The IUPAC name of 1-(2-hexoxyethoxy)ethyl formate (CID 173130576) is 1-(2-hexoxyethoxy)ethyl formate.
What is the SMILES notation for 1-(2-hexoxyethoxy)ethyl formate?
The canonical SMILES for 1-(2-hexoxyethoxy)ethyl formate is CCCCCCOCCOC(C)OC=O.
What is the InChIKey of 1-(2-hexoxyethoxy)ethyl formate?
The InChIKey is DTUMQIDENPAWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-3-4-5-6-7-13-8-9-14-11(2)15-10-12/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-(2-hexoxyethoxy)ethyl formate?
1-(2-hexoxyethoxy)ethyl formate has a molecular weight of 218.29 g/mol, XLogP of 2.12, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hexoxyethoxy)ethyl formate is sourced from PubChem (CID 173130576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).