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

C12H22O2 — CID 131204250

IUPAC2-(3,4-dihydro-2H-pyran-6-yl)-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(C)(O)C1=CCCCO1
InChIInChI=1S/C12H22O2/c1-11(2,3)9-12(4,13)10-7-5-6-8-14-10/h7,13H,5-6,8-9H2,1-4H3
InChIKeyFRSDGFNSHGOJIL-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.87
Rot. Bonds2

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

2-(3,4-dihydro-2H-pyran-6-yl)-4,4-dimethylpentan-2-ol (PubChem CID 131204250) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyran-6-yl)-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-6-yl)-4,4-dimethylpentan-2-ol
PubChem CID131204250
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-(3,4-dihydro-2H-pyran-6-yl)-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(C)(O)C1=CCCCO1
InChIInChI=1S/C12H22O2/c1-11(2,3)9-12(4,13)10-7-5-6-8-14-10/h7,13H,5-6,8-9H2,1-4H3
InChIKeyFRSDGFNSHGOJIL-UHFFFAOYSA-N
XLogP2.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyran-6-yl)-4,4-dimethylpentan-2-ol?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-6-yl)-4,4-dimethylpentan-2-ol (CID 131204250) is 2-(3,4-dihydro-2H-pyran-6-yl)-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-6-yl)-4,4-dimethylpentan-2-ol?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-6-yl)-4,4-dimethylpentan-2-ol is CC(C)(C)CC(C)(O)C1=CCCCO1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-6-yl)-4,4-dimethylpentan-2-ol?
The InChIKey is FRSDGFNSHGOJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-11(2,3)9-12(4,13)10-7-5-6-8-14-10/h7,13H,5-6,8-9H2,1-4H3.
What are the key properties of 2-(3,4-dihydro-2H-pyran-6-yl)-4,4-dimethylpentan-2-ol?
2-(3,4-dihydro-2H-pyran-6-yl)-4,4-dimethylpentan-2-ol has a molecular weight of 198.31 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyran-6-yl)-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 131204250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).