3-[2-(2-ethenoxyethoxy)ethoxymethyl]heptane

C14H28O3 — CID 154113397

IUPAC3-[2-(2-ethenoxyethoxy)ethoxymethyl]heptane
SMILESC=COCCOCCOCC(CC)CCCC
InChIInChI=1S/C14H28O3/c1-4-7-8-14(5-2)13-17-12-11-16-10-9-15-6-3/h6,14H,3-5,7-13H2,1-2H3
InChIKeyKQBMKCKNAWBVHI-UHFFFAOYSA-N
MW244.37 g/mol
LogP3.40
Rot. Bonds13

About 3-[2-(2-ethenoxyethoxy)ethoxymethyl]heptane

3-[2-(2-ethenoxyethoxy)ethoxymethyl]heptane (PubChem CID 154113397) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 3-[2-(2-ethenoxyethoxy)ethoxymethyl]heptane.

Molecular Properties

Compound Name3-[2-(2-ethenoxyethoxy)ethoxymethyl]heptane
PubChem CID154113397
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name3-[2-(2-ethenoxyethoxy)ethoxymethyl]heptane
SMILESC=COCCOCCOCC(CC)CCCC
InChIInChI=1S/C14H28O3/c1-4-7-8-14(5-2)13-17-12-11-16-10-9-15-6-3/h6,14H,3-5,7-13H2,1-2H3
InChIKeyKQBMKCKNAWBVHI-UHFFFAOYSA-N
XLogP3.40
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethenoxyethoxy)ethoxymethyl]heptane?
The IUPAC name of 3-[2-(2-ethenoxyethoxy)ethoxymethyl]heptane (CID 154113397) is 3-[2-(2-ethenoxyethoxy)ethoxymethyl]heptane.
What is the SMILES notation for 3-[2-(2-ethenoxyethoxy)ethoxymethyl]heptane?
The canonical SMILES for 3-[2-(2-ethenoxyethoxy)ethoxymethyl]heptane is C=COCCOCCOCC(CC)CCCC.
What is the InChIKey of 3-[2-(2-ethenoxyethoxy)ethoxymethyl]heptane?
The InChIKey is KQBMKCKNAWBVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-4-7-8-14(5-2)13-17-12-11-16-10-9-15-6-3/h6,14H,3-5,7-13H2,1-2H3.
What are the key properties of 3-[2-(2-ethenoxyethoxy)ethoxymethyl]heptane?
3-[2-(2-ethenoxyethoxy)ethoxymethyl]heptane has a molecular weight of 244.37 g/mol, XLogP of 3.40, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethenoxyethoxy)ethoxymethyl]heptane is sourced from PubChem (CID 154113397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).