2-[2,6-dimethyl-6-(trideuterio(113C)methyl)cyclohexen-1-yl]-4-methyl-3,6-dihydro-2H-pyran-6-ol

C15H24O2 — CID 10466837

IUPAC2-[2,6-dimethyl-6-(trideuterio(113C)methyl)cyclohexen-1-yl]-4-methyl-3,6-dihydro-2H-pyran-6-ol
SMILES[2H][13C]([2H])([2H])C1(C)CCCC(C)=C1C1CC(C)=CC(O)O1
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/i3+1D3
InChIKeyPPWQUPMBZOGRDI-LBDFIVMYSA-N
MW240.37 g/mol
LogP3.57
Rot. Bonds2

About 2-[2,6-dimethyl-6-(trideuterio(113C)methyl)cyclohexen-1-yl]-4-methyl-3,6-dihydro-2H-pyran-6-ol

2-[2,6-dimethyl-6-(trideuterio(113C)methyl)cyclohexen-1-yl]-4-methyl-3,6-dihydro-2H-pyran-6-ol (PubChem CID 10466837) has the molecular formula C15H24O2 and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-[2,6-dimethyl-6-(trideuterio(113C)methyl)cyclohexen-1-yl]-4-methyl-3,6-dihydro-2H-pyran-6-ol.

Molecular Properties

Compound Name2-[2,6-dimethyl-6-(trideuterio(113C)methyl)cyclohexen-1-yl]-4-methyl-3,6-dihydro-2H-pyran-6-ol
PubChem CID10466837
Molecular FormulaC15H24O2
Molecular Weight240.37 g/mol
Exact Mass240.20
IUPAC Name2-[2,6-dimethyl-6-(trideuterio(113C)methyl)cyclohexen-1-yl]-4-methyl-3,6-dihydro-2H-pyran-6-ol
SMILES[2H][13C]([2H])([2H])C1(C)CCCC(C)=C1C1CC(C)=CC(O)O1
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/i3+1D3
InChIKeyPPWQUPMBZOGRDI-LBDFIVMYSA-N
XLogP3.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
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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Related Compounds

4,5-dimethyl-6-methylidene-2-(2,6,6-trimethylcyclohexen-1-yl)-2,3-dihydropyran
CID 59164860
2,4-dimethyl-3,6-dihydro-2H-pyran-6-ol
CID 15658995
trimethyl-(2,6,6-trimethylcyclohexen-1-yl)silane
CID 125488948
[(6S)-6-(2,6,6-trimethylcyclohexen-1-yl)-1,2,3,6-tetrahydropyridin-4-yl]methanol
CID 101124373
[(6R)-6-(2,6,6-trimethylcyclohexen-1-yl)-1,2,3,6-tetrahydropyridin-4-yl]methanol
CID 101371966
ethane;2-[(2E)-penta-2,4-dien-2-yl]-3-(2,6,6-trimethylcyclohexen-1-yl)oxirane
CID 143285210
(2,3,4,5,6-pentafluorophenyl)-(2,6,6-trimethylcyclohexen-1-yl)methanone
CID 54759919
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2,6,6-trimethylcyclohexene-1-carboxylate
CID 163014973
5-[3,5-bis[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrazol-1-yl]oxolane-2,3,4-triol
CID 24742656
1-(2,6,6-trimethylcyclohexen-1-yl)ethanol
CID 539545
(4-ethylphenyl)-(2,6,6-trimethylcyclohexen-1-yl)methanone
CID 54759356
3,5,5,9-tetramethyl-1,2,4a,6,7,8-hexahydrobenzo[7]annulene
CID 15095

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dimethyl-6-(trideuterio(113C)methyl)cyclohexen-1-yl]-4-methyl-3,6-dihydro-2H-pyran-6-ol?
The IUPAC name of 2-[2,6-dimethyl-6-(trideuterio(113C)methyl)cyclohexen-1-yl]-4-methyl-3,6-dihydro-2H-pyran-6-ol (CID 10466837) is 2-[2,6-dimethyl-6-(trideuterio(113C)methyl)cyclohexen-1-yl]-4-methyl-3,6-dihydro-2H-pyran-6-ol.
What is the SMILES notation for 2-[2,6-dimethyl-6-(trideuterio(113C)methyl)cyclohexen-1-yl]-4-methyl-3,6-dihydro-2H-pyran-6-ol?
The canonical SMILES for 2-[2,6-dimethyl-6-(trideuterio(113C)methyl)cyclohexen-1-yl]-4-methyl-3,6-dihydro-2H-pyran-6-ol is [2H][13C]([2H])([2H])C1(C)CCCC(C)=C1C1CC(C)=CC(O)O1.
What is the InChIKey of 2-[2,6-dimethyl-6-(trideuterio(113C)methyl)cyclohexen-1-yl]-4-methyl-3,6-dihydro-2H-pyran-6-ol?
The InChIKey is PPWQUPMBZOGRDI-LBDFIVMYSA-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/i3+1D3.
What are the key properties of 2-[2,6-dimethyl-6-(trideuterio(113C)methyl)cyclohexen-1-yl]-4-methyl-3,6-dihydro-2H-pyran-6-ol?
2-[2,6-dimethyl-6-(trideuterio(113C)methyl)cyclohexen-1-yl]-4-methyl-3,6-dihydro-2H-pyran-6-ol has a molecular weight of 240.37 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dimethyl-6-(trideuterio(113C)methyl)cyclohexen-1-yl]-4-methyl-3,6-dihydro-2H-pyran-6-ol is sourced from PubChem (CID 10466837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).