2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-3,6-dihydro-2H-pyran-6-ol

C15H24O2 — CID 100930172

IUPAC2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-3,6-dihydro-2H-pyran-6-ol
SMILESCC(C)=CCC/C(C)=C/C1CC(C)=CC(O)O1
InChIInChI=1S/C15H24O2/c1-11(2)6-5-7-12(3)8-14-9-13(4)10-15(16)17-14/h6,8,10,14-16H,5,7,9H2,1-4H3/b12-8+
InChIKeyQOYZZBBBKFQYPS-XYOKQWHBSA-N
MW236.35 g/mol
LogP3.73
Rot. Bonds4

About 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-3,6-dihydro-2H-pyran-6-ol

2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-3,6-dihydro-2H-pyran-6-ol (PubChem CID 100930172) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-3,6-dihydro-2H-pyran-6-ol.

Molecular Properties

Compound Name2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-3,6-dihydro-2H-pyran-6-ol
PubChem CID100930172
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-3,6-dihydro-2H-pyran-6-ol
SMILESCC(C)=CCC/C(C)=C/C1CC(C)=CC(O)O1
InChIInChI=1S/C15H24O2/c1-11(2)6-5-7-12(3)8-14-9-13(4)10-15(16)17-14/h6,8,10,14-16H,5,7,9H2,1-4H3/b12-8+
InChIKeyQOYZZBBBKFQYPS-XYOKQWHBSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.73
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

1,3-Dioxane, 2-(2,6-dimethyl-1,5-heptadien-1-yl)-4-methyl-
CID 5356478
4-methoxy-5-methyl-6-propyl-2H-pyran-2-ol
CID 44566909
4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-ol
CID 11062800
(2Z,6Z)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol
CID 122523167
(4E,8E)-1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
CID 171351285
5-fluoro-2-(1-fluoro-2-methylprop-1-enyl)-4-methyl-3,6-dihydro-2H-pyran-6-ol
CID 121000211
(2R)-4-(4-methyl-3,6-dihydro-2H-pyran-2-yl)but-3-en-2-ol
CID 59899354
4,6,6-Trimethyl-2,3-dihydropyran-2-ol
CID 10558722
(E,2S)-4-(methoxymethoxymethyl)hex-3-en-2-ol
CID 60153429
4-Methylene-6-(2-methylprop-1-enyl)tetra-hydro-2h-pyran-2-ol
CID 129745647
cembrene-B-gamma-lactol
CID 177930969
2-(2,6-Dimethylhepta-1,5-dienyl)-4-methyl-1,3-dioxane
CID 93622

Frequently Asked Questions

What is the IUPAC name of 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-3,6-dihydro-2H-pyran-6-ol?
The IUPAC name of 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-3,6-dihydro-2H-pyran-6-ol (CID 100930172) is 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-3,6-dihydro-2H-pyran-6-ol.
What is the SMILES notation for 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-3,6-dihydro-2H-pyran-6-ol?
The canonical SMILES for 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-3,6-dihydro-2H-pyran-6-ol is CC(C)=CCC/C(C)=C/C1CC(C)=CC(O)O1.
What is the InChIKey of 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-3,6-dihydro-2H-pyran-6-ol?
The InChIKey is QOYZZBBBKFQYPS-XYOKQWHBSA-N. The full InChI is InChI=1S/C15H24O2/c1-11(2)6-5-7-12(3)8-14-9-13(4)10-15(16)17-14/h6,8,10,14-16H,5,7,9H2,1-4H3/b12-8+.
What are the key properties of 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-3,6-dihydro-2H-pyran-6-ol?
2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-3,6-dihydro-2H-pyran-6-ol has a molecular weight of 236.35 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-3,6-dihydro-2H-pyran-6-ol is sourced from PubChem (CID 100930172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).