2-ethoxy-1-(ethoxymethyl)-1-heptylcyclopentane

C17H34O2 — CID 86091302

IUPAC2-ethoxy-1-(ethoxymethyl)-1-heptylcyclopentane
SMILESCCCCCCCC1(COCC)CCCC1OCC
InChIInChI=1S/C17H34O2/c1-4-7-8-9-10-13-17(15-18-5-2)14-11-12-16(17)19-6-3/h16H,4-15H2,1-3H3
InChIKeyJOPHWKRVTYZCLT-UHFFFAOYSA-N
MW270.46 g/mol
LogP4.96
Rot. Bonds11

About 2-ethoxy-1-(ethoxymethyl)-1-heptylcyclopentane

2-ethoxy-1-(ethoxymethyl)-1-heptylcyclopentane (PubChem CID 86091302) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-ethoxy-1-(ethoxymethyl)-1-heptylcyclopentane.

Molecular Properties

Compound Name2-ethoxy-1-(ethoxymethyl)-1-heptylcyclopentane
PubChem CID86091302
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name2-ethoxy-1-(ethoxymethyl)-1-heptylcyclopentane
SMILESCCCCCCCC1(COCC)CCCC1OCC
InChIInChI=1S/C17H34O2/c1-4-7-8-9-10-13-17(15-18-5-2)14-11-12-16(17)19-6-3/h16H,4-15H2,1-3H3
InChIKeyJOPHWKRVTYZCLT-UHFFFAOYSA-N
XLogP4.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(ethoxymethyl)-1-heptylcyclopentane?
The IUPAC name of 2-ethoxy-1-(ethoxymethyl)-1-heptylcyclopentane (CID 86091302) is 2-ethoxy-1-(ethoxymethyl)-1-heptylcyclopentane.
What is the SMILES notation for 2-ethoxy-1-(ethoxymethyl)-1-heptylcyclopentane?
The canonical SMILES for 2-ethoxy-1-(ethoxymethyl)-1-heptylcyclopentane is CCCCCCCC1(COCC)CCCC1OCC.
What is the InChIKey of 2-ethoxy-1-(ethoxymethyl)-1-heptylcyclopentane?
The InChIKey is JOPHWKRVTYZCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-4-7-8-9-10-13-17(15-18-5-2)14-11-12-16(17)19-6-3/h16H,4-15H2,1-3H3.
What are the key properties of 2-ethoxy-1-(ethoxymethyl)-1-heptylcyclopentane?
2-ethoxy-1-(ethoxymethyl)-1-heptylcyclopentane has a molecular weight of 270.46 g/mol, XLogP of 4.96, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(ethoxymethyl)-1-heptylcyclopentane is sourced from PubChem (CID 86091302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).