ethoxy-(6-ethylcyclooct-2-en-1-yl)oxymethanol

C13H24O3 — CID 123922335

IUPACethoxy-(6-ethylcyclooct-2-en-1-yl)oxymethanol
SMILESCCOC(O)OC1C=CCCC(CC)CC1
InChIInChI=1S/C13H24O3/c1-3-11-7-5-6-8-12(10-9-11)16-13(14)15-4-2/h6,8,11-14H,3-5,7,9-10H2,1-2H3
InChIKeyYUOWMVIIIVAWJR-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.84
Rot. Bonds5

About ethoxy-(6-ethylcyclooct-2-en-1-yl)oxymethanol

ethoxy-(6-ethylcyclooct-2-en-1-yl)oxymethanol (PubChem CID 123922335) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is ethoxy-(6-ethylcyclooct-2-en-1-yl)oxymethanol.

Molecular Properties

Compound Nameethoxy-(6-ethylcyclooct-2-en-1-yl)oxymethanol
PubChem CID123922335
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Nameethoxy-(6-ethylcyclooct-2-en-1-yl)oxymethanol
SMILESCCOC(O)OC1C=CCCC(CC)CC1
InChIInChI=1S/C13H24O3/c1-3-11-7-5-6-8-12(10-9-11)16-13(14)15-4-2/h6,8,11-14H,3-5,7,9-10H2,1-2H3
InChIKeyYUOWMVIIIVAWJR-UHFFFAOYSA-N
XLogP2.84
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethoxy-(6-ethylcyclooct-2-en-1-yl)oxymethanol?
The IUPAC name of ethoxy-(6-ethylcyclooct-2-en-1-yl)oxymethanol (CID 123922335) is ethoxy-(6-ethylcyclooct-2-en-1-yl)oxymethanol.
What is the SMILES notation for ethoxy-(6-ethylcyclooct-2-en-1-yl)oxymethanol?
The canonical SMILES for ethoxy-(6-ethylcyclooct-2-en-1-yl)oxymethanol is CCOC(O)OC1C=CCCC(CC)CC1.
What is the InChIKey of ethoxy-(6-ethylcyclooct-2-en-1-yl)oxymethanol?
The InChIKey is YUOWMVIIIVAWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-3-11-7-5-6-8-12(10-9-11)16-13(14)15-4-2/h6,8,11-14H,3-5,7,9-10H2,1-2H3.
What are the key properties of ethoxy-(6-ethylcyclooct-2-en-1-yl)oxymethanol?
ethoxy-(6-ethylcyclooct-2-en-1-yl)oxymethanol has a molecular weight of 228.33 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-(6-ethylcyclooct-2-en-1-yl)oxymethanol is sourced from PubChem (CID 123922335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).