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

C11H20O2 — CID 121223111

IUPAC1-(3,6-dihydro-2H-pyran-6-yl)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)CC1C=CCCO1
InChIInChI=1S/C11H20O2/c1-11(2,3)10(12)8-9-6-4-5-7-13-9/h4,6,9-10,12H,5,7-8H2,1-3H3
InChIKeyZDBYPYHZVXUKPL-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.13
Rot. Bonds2

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

1-(3,6-dihydro-2H-pyran-6-yl)-3,3-dimethylbutan-2-ol (PubChem CID 121223111) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(3,6-dihydro-2H-pyran-6-yl)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(3,6-dihydro-2H-pyran-6-yl)-3,3-dimethylbutan-2-ol
PubChem CID121223111
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-(3,6-dihydro-2H-pyran-6-yl)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)CC1C=CCCO1
InChIInChI=1S/C11H20O2/c1-11(2,3)10(12)8-9-6-4-5-7-13-9/h4,6,9-10,12H,5,7-8H2,1-3H3
InChIKeyZDBYPYHZVXUKPL-UHFFFAOYSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.13
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-(3,6-dihydro-2H-pyran-6-yl)-3,3-dimethylbutan-2-ol?
The IUPAC name of 1-(3,6-dihydro-2H-pyran-6-yl)-3,3-dimethylbutan-2-ol (CID 121223111) is 1-(3,6-dihydro-2H-pyran-6-yl)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(3,6-dihydro-2H-pyran-6-yl)-3,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(3,6-dihydro-2H-pyran-6-yl)-3,3-dimethylbutan-2-ol is CC(C)(C)C(O)CC1C=CCCO1.
What is the InChIKey of 1-(3,6-dihydro-2H-pyran-6-yl)-3,3-dimethylbutan-2-ol?
The InChIKey is ZDBYPYHZVXUKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-11(2,3)10(12)8-9-6-4-5-7-13-9/h4,6,9-10,12H,5,7-8H2,1-3H3.
What are the key properties of 1-(3,6-dihydro-2H-pyran-6-yl)-3,3-dimethylbutan-2-ol?
1-(3,6-dihydro-2H-pyran-6-yl)-3,3-dimethylbutan-2-ol has a molecular weight of 184.28 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dihydro-2H-pyran-6-yl)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 121223111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).