2-(2,6,6-trimethyl-3H-pyran-2-yl)ethanol

C10H18O2 — CID 11829879

IUPAC2-(2,6,6-trimethyl-3H-pyran-2-yl)ethanol
SMILESCC1(C)C=CCC(C)(CCO)O1
InChIInChI=1S/C10H18O2/c1-9(2)5-4-6-10(3,12-9)7-8-11/h4-5,11H,6-8H2,1-3H3
InChIKeyBADFVABAIWHYTA-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.88
Rot. Bonds2

About 2-(2,6,6-trimethyl-3H-pyran-2-yl)ethanol

2-(2,6,6-trimethyl-3H-pyran-2-yl)ethanol (PubChem CID 11829879) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-(2,6,6-trimethyl-3H-pyran-2-yl)ethanol.

Molecular Properties

Compound Name2-(2,6,6-trimethyl-3H-pyran-2-yl)ethanol
PubChem CID11829879
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-(2,6,6-trimethyl-3H-pyran-2-yl)ethanol
SMILESCC1(C)C=CCC(C)(CCO)O1
InChIInChI=1S/C10H18O2/c1-9(2)5-4-6-10(3,12-9)7-8-11/h4-5,11H,6-8H2,1-3H3
InChIKeyBADFVABAIWHYTA-UHFFFAOYSA-N
XLogP1.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.88
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 2-(2,6,6-trimethyl-3H-pyran-2-yl)ethanol?
The IUPAC name of 2-(2,6,6-trimethyl-3H-pyran-2-yl)ethanol (CID 11829879) is 2-(2,6,6-trimethyl-3H-pyran-2-yl)ethanol.
What is the SMILES notation for 2-(2,6,6-trimethyl-3H-pyran-2-yl)ethanol?
The canonical SMILES for 2-(2,6,6-trimethyl-3H-pyran-2-yl)ethanol is CC1(C)C=CCC(C)(CCO)O1.
What is the InChIKey of 2-(2,6,6-trimethyl-3H-pyran-2-yl)ethanol?
The InChIKey is BADFVABAIWHYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(2)5-4-6-10(3,12-9)7-8-11/h4-5,11H,6-8H2,1-3H3.
What are the key properties of 2-(2,6,6-trimethyl-3H-pyran-2-yl)ethanol?
2-(2,6,6-trimethyl-3H-pyran-2-yl)ethanol has a molecular weight of 170.25 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6,6-trimethyl-3H-pyran-2-yl)ethanol is sourced from PubChem (CID 11829879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).