4-methyl-2-(2,6,6-trimethylcyclohexa-1,4-dien-1-yl)-3,6-dihydro-2H-pyran-6-ol

C15H22O2 — CID 22412498

IUPAC4-methyl-2-(2,6,6-trimethylcyclohexa-1,4-dien-1-yl)-3,6-dihydro-2H-pyran-6-ol
SMILESCC1=CC(O)OC(C2=C(C)CC=CC2(C)C)C1
InChIInChI=1S/C15H22O2/c1-10-8-12(17-13(16)9-10)14-11(2)6-5-7-15(14,3)4/h5,7,9,12-13,16H,6,8H2,1-4H3
InChIKeyOQLAPPIXKOZXFM-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.34
Rot. Bonds1

About 4-methyl-2-(2,6,6-trimethylcyclohexa-1,4-dien-1-yl)-3,6-dihydro-2H-pyran-6-ol

4-methyl-2-(2,6,6-trimethylcyclohexa-1,4-dien-1-yl)-3,6-dihydro-2H-pyran-6-ol (PubChem CID 22412498) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-methyl-2-(2,6,6-trimethylcyclohexa-1,4-dien-1-yl)-3,6-dihydro-2H-pyran-6-ol.

Molecular Properties

Compound Name4-methyl-2-(2,6,6-trimethylcyclohexa-1,4-dien-1-yl)-3,6-dihydro-2H-pyran-6-ol
PubChem CID22412498
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name4-methyl-2-(2,6,6-trimethylcyclohexa-1,4-dien-1-yl)-3,6-dihydro-2H-pyran-6-ol
SMILESCC1=CC(O)OC(C2=C(C)CC=CC2(C)C)C1
InChIInChI=1S/C15H22O2/c1-10-8-12(17-13(16)9-10)14-11(2)6-5-7-15(14,3)4/h5,7,9,12-13,16H,6,8H2,1-4H3
InChIKeyOQLAPPIXKOZXFM-UHFFFAOYSA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.34
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-methyl-2-(2,6,6-trimethylcyclohexa-1,4-dien-1-yl)-3,6-dihydro-2H-pyran-6-ol?
The IUPAC name of 4-methyl-2-(2,6,6-trimethylcyclohexa-1,4-dien-1-yl)-3,6-dihydro-2H-pyran-6-ol (CID 22412498) is 4-methyl-2-(2,6,6-trimethylcyclohexa-1,4-dien-1-yl)-3,6-dihydro-2H-pyran-6-ol.
What is the SMILES notation for 4-methyl-2-(2,6,6-trimethylcyclohexa-1,4-dien-1-yl)-3,6-dihydro-2H-pyran-6-ol?
The canonical SMILES for 4-methyl-2-(2,6,6-trimethylcyclohexa-1,4-dien-1-yl)-3,6-dihydro-2H-pyran-6-ol is CC1=CC(O)OC(C2=C(C)CC=CC2(C)C)C1.
What is the InChIKey of 4-methyl-2-(2,6,6-trimethylcyclohexa-1,4-dien-1-yl)-3,6-dihydro-2H-pyran-6-ol?
The InChIKey is OQLAPPIXKOZXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-10-8-12(17-13(16)9-10)14-11(2)6-5-7-15(14,3)4/h5,7,9,12-13,16H,6,8H2,1-4H3.
What are the key properties of 4-methyl-2-(2,6,6-trimethylcyclohexa-1,4-dien-1-yl)-3,6-dihydro-2H-pyran-6-ol?
4-methyl-2-(2,6,6-trimethylcyclohexa-1,4-dien-1-yl)-3,6-dihydro-2H-pyran-6-ol has a molecular weight of 234.34 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2,6,6-trimethylcyclohexa-1,4-dien-1-yl)-3,6-dihydro-2H-pyran-6-ol is sourced from PubChem (CID 22412498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).