1-(3,4-dihydro-2H-pyran-6-yl)cyclohex-2-en-1-ol

C11H16O2 — CID 13016256

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)cyclohex-2-en-1-ol
SMILESOC1(C2=CCCCO2)C=CCCC1
InChIInChI=1S/C11H16O2/c12-11(7-3-1-4-8-11)10-6-2-5-9-13-10/h3,6-7,12H,1-2,4-5,8-9H2
InChIKeyYGLZJQCXSPLOFD-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.15
Rot. Bonds1

About 1-(3,4-dihydro-2H-pyran-6-yl)cyclohex-2-en-1-ol

1-(3,4-dihydro-2H-pyran-6-yl)cyclohex-2-en-1-ol (PubChem CID 13016256) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)cyclohex-2-en-1-ol
PubChem CID13016256
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)cyclohex-2-en-1-ol
SMILESOC1(C2=CCCCO2)C=CCCC1
InChIInChI=1S/C11H16O2/c12-11(7-3-1-4-8-11)10-6-2-5-9-13-10/h3,6-7,12H,1-2,4-5,8-9H2
InChIKeyYGLZJQCXSPLOFD-UHFFFAOYSA-N
XLogP2.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
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 1-(3,4-dihydro-2H-pyran-6-yl)cyclohex-2-en-1-ol?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)cyclohex-2-en-1-ol (CID 13016256) is 1-(3,4-dihydro-2H-pyran-6-yl)cyclohex-2-en-1-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)cyclohex-2-en-1-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)cyclohex-2-en-1-ol is OC1(C2=CCCCO2)C=CCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)cyclohex-2-en-1-ol?
The InChIKey is YGLZJQCXSPLOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c12-11(7-3-1-4-8-11)10-6-2-5-9-13-10/h3,6-7,12H,1-2,4-5,8-9H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)cyclohex-2-en-1-ol?
1-(3,4-dihydro-2H-pyran-6-yl)cyclohex-2-en-1-ol has a molecular weight of 180.25 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)cyclohex-2-en-1-ol is sourced from PubChem (CID 13016256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).