4,6,6-trimethyl-2,3-dihydropyran-2-ol

C8H14O2 — CID 10558722

IUPAC4,6,6-trimethyl-2,3-dihydropyran-2-ol
SMILESCC1=CC(C)(C)OC(O)C1
InChIInChI=1S/C8H14O2/c1-6-4-7(9)10-8(2,3)5-6/h5,7,9H,4H2,1-3H3
InChIKeyGAXBFKCJAOBPCY-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.45
Rot. Bonds

About 4,6,6-trimethyl-2,3-dihydropyran-2-ol

4,6,6-trimethyl-2,3-dihydropyran-2-ol (PubChem CID 10558722) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4,6,6-trimethyl-2,3-dihydropyran-2-ol.

Molecular Properties

Compound Name4,6,6-trimethyl-2,3-dihydropyran-2-ol
PubChem CID10558722
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name4,6,6-trimethyl-2,3-dihydropyran-2-ol
SMILESCC1=CC(C)(C)OC(O)C1
InChIInChI=1S/C8H14O2/c1-6-4-7(9)10-8(2,3)5-6/h5,7,9H,4H2,1-3H3
InChIKeyGAXBFKCJAOBPCY-UHFFFAOYSA-N
XLogP1.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.45
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 4,6,6-trimethyl-2,3-dihydropyran-2-ol?
The IUPAC name of 4,6,6-trimethyl-2,3-dihydropyran-2-ol (CID 10558722) is 4,6,6-trimethyl-2,3-dihydropyran-2-ol.
What is the SMILES notation for 4,6,6-trimethyl-2,3-dihydropyran-2-ol?
The canonical SMILES for 4,6,6-trimethyl-2,3-dihydropyran-2-ol is CC1=CC(C)(C)OC(O)C1.
What is the InChIKey of 4,6,6-trimethyl-2,3-dihydropyran-2-ol?
The InChIKey is GAXBFKCJAOBPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6-4-7(9)10-8(2,3)5-6/h5,7,9H,4H2,1-3H3.
What are the key properties of 4,6,6-trimethyl-2,3-dihydropyran-2-ol?
4,6,6-trimethyl-2,3-dihydropyran-2-ol has a molecular weight of 142.20 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,6-trimethyl-2,3-dihydropyran-2-ol is sourced from PubChem (CID 10558722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).