6-(6,6-dimethylcyclohex-2-en-1-yl)-2H-pyran-3-ol

C13H18O2 — CID 66729156

IUPAC6-(6,6-dimethylcyclohex-2-en-1-yl)-2H-pyran-3-ol
SMILESCC1(C)CCC=CC1C1=CC=C(O)CO1
InChIInChI=1S/C13H18O2/c1-13(2)8-4-3-5-11(13)12-7-6-10(14)9-15-12/h3,5-7,11,14H,4,8-9H2,1-2H3
InChIKeyCHFWSYXXEHGFEF-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.33
Rot. Bonds1

About 6-(6,6-dimethylcyclohex-2-en-1-yl)-2H-pyran-3-ol

6-(6,6-dimethylcyclohex-2-en-1-yl)-2H-pyran-3-ol (PubChem CID 66729156) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 6-(6,6-dimethylcyclohex-2-en-1-yl)-2H-pyran-3-ol.

Molecular Properties

Compound Name6-(6,6-dimethylcyclohex-2-en-1-yl)-2H-pyran-3-ol
PubChem CID66729156
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name6-(6,6-dimethylcyclohex-2-en-1-yl)-2H-pyran-3-ol
SMILESCC1(C)CCC=CC1C1=CC=C(O)CO1
InChIInChI=1S/C13H18O2/c1-13(2)8-4-3-5-11(13)12-7-6-10(14)9-15-12/h3,5-7,11,14H,4,8-9H2,1-2H3
InChIKeyCHFWSYXXEHGFEF-UHFFFAOYSA-N
XLogP3.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.33
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 6-(6,6-dimethylcyclohex-2-en-1-yl)-2H-pyran-3-ol?
The IUPAC name of 6-(6,6-dimethylcyclohex-2-en-1-yl)-2H-pyran-3-ol (CID 66729156) is 6-(6,6-dimethylcyclohex-2-en-1-yl)-2H-pyran-3-ol.
What is the SMILES notation for 6-(6,6-dimethylcyclohex-2-en-1-yl)-2H-pyran-3-ol?
The canonical SMILES for 6-(6,6-dimethylcyclohex-2-en-1-yl)-2H-pyran-3-ol is CC1(C)CCC=CC1C1=CC=C(O)CO1.
What is the InChIKey of 6-(6,6-dimethylcyclohex-2-en-1-yl)-2H-pyran-3-ol?
The InChIKey is CHFWSYXXEHGFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-13(2)8-4-3-5-11(13)12-7-6-10(14)9-15-12/h3,5-7,11,14H,4,8-9H2,1-2H3.
What are the key properties of 6-(6,6-dimethylcyclohex-2-en-1-yl)-2H-pyran-3-ol?
6-(6,6-dimethylcyclohex-2-en-1-yl)-2H-pyran-3-ol has a molecular weight of 206.28 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,6-dimethylcyclohex-2-en-1-yl)-2H-pyran-3-ol is sourced from PubChem (CID 66729156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).