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

C11H18O2 — CID 130670916

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2,3-dimethylcyclobutan-1-ol
SMILESCC1CC(O)(C2=CCCCO2)C1C
InChIInChI=1S/C11H18O2/c1-8-7-11(12,9(8)2)10-5-3-4-6-13-10/h5,8-9,12H,3-4,6-7H2,1-2H3
InChIKeyIHEIIBIHNOJSQZ-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.09
Rot. Bonds1

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

1-(3,4-dihydro-2H-pyran-6-yl)-2,3-dimethylcyclobutan-1-ol (PubChem CID 130670916) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2,3-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2,3-dimethylcyclobutan-1-ol
PubChem CID130670916
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2,3-dimethylcyclobutan-1-ol
SMILESCC1CC(O)(C2=CCCCO2)C1C
InChIInChI=1S/C11H18O2/c1-8-7-11(12,9(8)2)10-5-3-4-6-13-10/h5,8-9,12H,3-4,6-7H2,1-2H3
InChIKeyIHEIIBIHNOJSQZ-UHFFFAOYSA-N
XLogP2.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2,3-dimethylcyclobutan-1-ol?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2,3-dimethylcyclobutan-1-ol (CID 130670916) is 1-(3,4-dihydro-2H-pyran-6-yl)-2,3-dimethylcyclobutan-1-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2,3-dimethylcyclobutan-1-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2,3-dimethylcyclobutan-1-ol is CC1CC(O)(C2=CCCCO2)C1C.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2,3-dimethylcyclobutan-1-ol?
The InChIKey is IHEIIBIHNOJSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-8-7-11(12,9(8)2)10-5-3-4-6-13-10/h5,8-9,12H,3-4,6-7H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2,3-dimethylcyclobutan-1-ol?
1-(3,4-dihydro-2H-pyran-6-yl)-2,3-dimethylcyclobutan-1-ol has a molecular weight of 182.26 g/mol, XLogP of 2.09, 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)-2,3-dimethylcyclobutan-1-ol is sourced from PubChem (CID 130670916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).