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

C12H18O2 — CID 10512027

IUPAC2-[2-(3,6-dihydro-2H-pyran-2-yl)ethyl]-3,6-dihydro-2H-pyran
SMILESC1=CCC(CCC2CC=CCO2)OC1
InChIInChI=1S/C12H18O2/c1-3-9-13-11(5-1)7-8-12-6-2-4-10-14-12/h1-4,11-12H,5-10H2
InChIKeyLVAVZYBPGMSUFR-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.46
Rot. Bonds3

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

2-[2-(3,6-dihydro-2H-pyran-2-yl)ethyl]-3,6-dihydro-2H-pyran (PubChem CID 10512027) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-[2-(3,6-dihydro-2H-pyran-2-yl)ethyl]-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name2-[2-(3,6-dihydro-2H-pyran-2-yl)ethyl]-3,6-dihydro-2H-pyran
PubChem CID10512027
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-[2-(3,6-dihydro-2H-pyran-2-yl)ethyl]-3,6-dihydro-2H-pyran
SMILESC1=CCC(CCC2CC=CCO2)OC1
InChIInChI=1S/C12H18O2/c1-3-9-13-11(5-1)7-8-12-6-2-4-10-14-12/h1-4,11-12H,5-10H2
InChIKeyLVAVZYBPGMSUFR-UHFFFAOYSA-N
XLogP2.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,6-dihydro-2H-pyran-2-yl)ethyl]-3,6-dihydro-2H-pyran?
The IUPAC name of 2-[2-(3,6-dihydro-2H-pyran-2-yl)ethyl]-3,6-dihydro-2H-pyran (CID 10512027) is 2-[2-(3,6-dihydro-2H-pyran-2-yl)ethyl]-3,6-dihydro-2H-pyran.
What is the SMILES notation for 2-[2-(3,6-dihydro-2H-pyran-2-yl)ethyl]-3,6-dihydro-2H-pyran?
The canonical SMILES for 2-[2-(3,6-dihydro-2H-pyran-2-yl)ethyl]-3,6-dihydro-2H-pyran is C1=CCC(CCC2CC=CCO2)OC1.
What is the InChIKey of 2-[2-(3,6-dihydro-2H-pyran-2-yl)ethyl]-3,6-dihydro-2H-pyran?
The InChIKey is LVAVZYBPGMSUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-3-9-13-11(5-1)7-8-12-6-2-4-10-14-12/h1-4,11-12H,5-10H2.
What are the key properties of 2-[2-(3,6-dihydro-2H-pyran-2-yl)ethyl]-3,6-dihydro-2H-pyran?
2-[2-(3,6-dihydro-2H-pyran-2-yl)ethyl]-3,6-dihydro-2H-pyran has a molecular weight of 194.27 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,6-dihydro-2H-pyran-2-yl)ethyl]-3,6-dihydro-2H-pyran is sourced from PubChem (CID 10512027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).