6-[2-(2-ethyloxiran-2-yl)ethyl]-3,4-dihydro-2H-pyran

C11H18O2 — CID 13237179

IUPAC6-[2-(2-ethyloxiran-2-yl)ethyl]-3,4-dihydro-2H-pyran
SMILESCCC1(CCC2=CCCCO2)CO1
InChIInChI=1S/C11H18O2/c1-2-11(9-13-11)7-6-10-5-3-4-8-12-10/h5H,2-4,6-9H2,1H3
InChIKeyMBVUGNYGQVPPAD-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.64
Rot. Bonds4

About 6-[2-(2-ethyloxiran-2-yl)ethyl]-3,4-dihydro-2H-pyran

6-[2-(2-ethyloxiran-2-yl)ethyl]-3,4-dihydro-2H-pyran (PubChem CID 13237179) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 6-[2-(2-ethyloxiran-2-yl)ethyl]-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-[2-(2-ethyloxiran-2-yl)ethyl]-3,4-dihydro-2H-pyran
PubChem CID13237179
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name6-[2-(2-ethyloxiran-2-yl)ethyl]-3,4-dihydro-2H-pyran
SMILESCCC1(CCC2=CCCCO2)CO1
InChIInChI=1S/C11H18O2/c1-2-11(9-13-11)7-6-10-5-3-4-8-12-10/h5H,2-4,6-9H2,1H3
InChIKeyMBVUGNYGQVPPAD-UHFFFAOYSA-N
XLogP2.64
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-ethyloxiran-2-yl)ethyl]-3,4-dihydro-2H-pyran?
The IUPAC name of 6-[2-(2-ethyloxiran-2-yl)ethyl]-3,4-dihydro-2H-pyran (CID 13237179) is 6-[2-(2-ethyloxiran-2-yl)ethyl]-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-[2-(2-ethyloxiran-2-yl)ethyl]-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-[2-(2-ethyloxiran-2-yl)ethyl]-3,4-dihydro-2H-pyran is CCC1(CCC2=CCCCO2)CO1.
What is the InChIKey of 6-[2-(2-ethyloxiran-2-yl)ethyl]-3,4-dihydro-2H-pyran?
The InChIKey is MBVUGNYGQVPPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-11(9-13-11)7-6-10-5-3-4-8-12-10/h5H,2-4,6-9H2,1H3.
What are the key properties of 6-[2-(2-ethyloxiran-2-yl)ethyl]-3,4-dihydro-2H-pyran?
6-[2-(2-ethyloxiran-2-yl)ethyl]-3,4-dihydro-2H-pyran has a molecular weight of 182.26 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-ethyloxiran-2-yl)ethyl]-3,4-dihydro-2H-pyran is sourced from PubChem (CID 13237179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).