7-(3-ethyloxiran-2-yl)hept-5-en-3-ol

C11H20O2 — CID 170848463

IUPAC7-(3-ethyloxiran-2-yl)hept-5-en-3-ol
SMILESCCC(O)CC=CCC1OC1CC
InChIInChI=1S/C11H20O2/c1-3-9(12)7-5-6-8-11-10(4-2)13-11/h5-6,9-12H,3-4,7-8H2,1-2H3
InChIKeyQOSYNJAQQCLAFH-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.27
Rot. Bonds6

About 7-(3-ethyloxiran-2-yl)hept-5-en-3-ol

7-(3-ethyloxiran-2-yl)hept-5-en-3-ol (PubChem CID 170848463) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 7-(3-ethyloxiran-2-yl)hept-5-en-3-ol.

Molecular Properties

Compound Name7-(3-ethyloxiran-2-yl)hept-5-en-3-ol
PubChem CID170848463
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name7-(3-ethyloxiran-2-yl)hept-5-en-3-ol
SMILESCCC(O)CC=CCC1OC1CC
InChIInChI=1S/C11H20O2/c1-3-9(12)7-5-6-8-11-10(4-2)13-11/h5-6,9-12H,3-4,7-8H2,1-2H3
InChIKeyQOSYNJAQQCLAFH-UHFFFAOYSA-N
XLogP2.27
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(3-ethyloxiran-2-yl)hept-5-en-3-ol?
The IUPAC name of 7-(3-ethyloxiran-2-yl)hept-5-en-3-ol (CID 170848463) is 7-(3-ethyloxiran-2-yl)hept-5-en-3-ol.
What is the SMILES notation for 7-(3-ethyloxiran-2-yl)hept-5-en-3-ol?
The canonical SMILES for 7-(3-ethyloxiran-2-yl)hept-5-en-3-ol is CCC(O)CC=CCC1OC1CC.
What is the InChIKey of 7-(3-ethyloxiran-2-yl)hept-5-en-3-ol?
The InChIKey is QOSYNJAQQCLAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-9(12)7-5-6-8-11-10(4-2)13-11/h5-6,9-12H,3-4,7-8H2,1-2H3.
What are the key properties of 7-(3-ethyloxiran-2-yl)hept-5-en-3-ol?
7-(3-ethyloxiran-2-yl)hept-5-en-3-ol has a molecular weight of 184.28 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-ethyloxiran-2-yl)hept-5-en-3-ol is sourced from PubChem (CID 170848463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).