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

C15H24O2 — CID 10922541

IUPAC4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-3,6-dihydro-2H-pyran-6-ol
SMILESCC1=CC(O)OC(C2=C(C)CCCC2(C)C)C1
InChIInChI=1S/C15H24O2/c1-10-8-12(17-13(16)9-10)14-11(2)6-5-7-15(14,3)4/h9,12-13,16H,5-8H2,1-4H3
InChIKeyPPWQUPMBZOGRDI-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.57
Rot. Bonds1

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

4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-3,6-dihydro-2H-pyran-6-ol (PubChem CID 10922541) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-3,6-dihydro-2H-pyran-6-ol.

Molecular Properties

Compound Name4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-3,6-dihydro-2H-pyran-6-ol
PubChem CID10922541
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-3,6-dihydro-2H-pyran-6-ol
SMILESCC1=CC(O)OC(C2=C(C)CCCC2(C)C)C1
InChIInChI=1S/C15H24O2/c1-10-8-12(17-13(16)9-10)14-11(2)6-5-7-15(14,3)4/h9,12-13,16H,5-8H2,1-4H3
InChIKeyPPWQUPMBZOGRDI-UHFFFAOYSA-N
XLogP3.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.57
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-trimethylcyclohexen-1-yl)-3,6-dihydro-2H-pyran-6-ol?
The IUPAC name of 4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-3,6-dihydro-2H-pyran-6-ol (CID 10922541) is 4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-3,6-dihydro-2H-pyran-6-ol.
What is the SMILES notation for 4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-3,6-dihydro-2H-pyran-6-ol?
The canonical SMILES for 4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-3,6-dihydro-2H-pyran-6-ol is CC1=CC(O)OC(C2=C(C)CCCC2(C)C)C1.
What is the InChIKey of 4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-3,6-dihydro-2H-pyran-6-ol?
The InChIKey is PPWQUPMBZOGRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-10-8-12(17-13(16)9-10)14-11(2)6-5-7-15(14,3)4/h9,12-13,16H,5-8H2,1-4H3.
What are the key properties of 4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-3,6-dihydro-2H-pyran-6-ol?
4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)-3,6-dihydro-2H-pyran-6-ol has a molecular weight of 236.35 g/mol, XLogP of 3.57, 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-trimethylcyclohexen-1-yl)-3,6-dihydro-2H-pyran-6-ol is sourced from PubChem (CID 10922541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).