cyclohexene;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;2H-pyran

C27H42O3 — CID 158266404

IUPACcyclohexene;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;2H-pyran
SMILESC1=CCCCC1.C1=CCCCC1.C1=CCOC=C1.C1=CCOCC1.C1=COCCC1
InChIInChI=1S/2C6H10.2C5H8O.C5H6O/c5*1-2-4-6-5-3-1/h2*1-2H,3-6H2;2,4H,1,3,5H2;1-2H,3-5H2;1-4H,5H2
InChIKeyGIMLWTADGYVZQV-UHFFFAOYSA-N
MW414.63 g/mol
LogP7.59
Rot. Bonds

About cyclohexene;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;2H-pyran

cyclohexene;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;2H-pyran (PubChem CID 158266404) has the molecular formula C27H42O3 and a molecular weight of 414.63 g/mol. Its IUPAC name is cyclohexene;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;2H-pyran.

Molecular Properties

Compound Namecyclohexene;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;2H-pyran
PubChem CID158266404
Molecular FormulaC27H42O3
Molecular Weight414.63 g/mol
Exact Mass414.31
IUPAC Namecyclohexene;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;2H-pyran
SMILESC1=CCCCC1.C1=CCCCC1.C1=CCOC=C1.C1=CCOCC1.C1=COCCC1
InChIInChI=1S/2C6H10.2C5H8O.C5H6O/c5*1-2-4-6-5-3-1/h2*1-2H,3-6H2;2,4H,1,3,5H2;1-2H,3-5H2;1-4H,5H2
InChIKeyGIMLWTADGYVZQV-UHFFFAOYSA-N
XLogP7.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.63
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;2H-pyran;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine
CID 160951459
1-oxacyclohexadeca-7,14-diene
CID 69016364
1-oxacyclohexadec-14-ene
CID 91141688
(18E)-1-oxacycloicos-18-ene
CID 21321167
2H-pyran;tellane;hydrate
CID 175286317
guanidine;2H-pyran
CID 174410087
2H-pyran;trifluoroborane
CID 174934056
2,3-dihydrofuran;1,4-dioxane
CID 162016312
cyclohexene;cyclopentene;2,3-dihydro-1,4-dioxine;2,3-dihydrofuran;3,4-dihydro-2H-pyran;methane;7-oxabicyclo[2.2.1]hept-2-ene
CID 158943881
cyclohexene;cyclopentene;2,3-dihydro-1,4-dioxine;2,3-dihydrofuran;3,4-dihydro-2H-pyran;7-oxabicyclo[2.2.1]hept-2-ene
CID 161378411
piperidine;2H-pyran
CID 131986465
azepane;azetidine;aziridine;1,4-diazepane;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;1,4-dioxane;1,4-dioxepane;1,4-dithiane;1,4-dithiepane;morpholine;oxane;1,4-oxathiane;1,4-oxathiepane;1,4-oxazepane;oxepane;oxetane;oxirane;oxolane;piperazine;piperidine;pyrrolidine;thiane;1,4-thiazepane;thiepane;thietane;thiirane;thiolane;thiomorpholine
CID 160905652

Frequently Asked Questions

What is the IUPAC name of cyclohexene;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;2H-pyran?
The IUPAC name of cyclohexene;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;2H-pyran (CID 158266404) is cyclohexene;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;2H-pyran.
What is the SMILES notation for cyclohexene;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;2H-pyran?
The canonical SMILES for cyclohexene;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;2H-pyran is C1=CCCCC1.C1=CCCCC1.C1=CCOC=C1.C1=CCOCC1.C1=COCCC1.
What is the InChIKey of cyclohexene;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;2H-pyran?
The InChIKey is GIMLWTADGYVZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H10.2C5H8O.C5H6O/c5*1-2-4-6-5-3-1/h2*1-2H,3-6H2;2,4H,1,3,5H2;1-2H,3-5H2;1-4H,5H2.
What are the key properties of cyclohexene;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;2H-pyran?
cyclohexene;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;2H-pyran has a molecular weight of 414.63 g/mol, XLogP of 7.59, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexene;3,4-dihydro-2H-pyran;3,6-dihydro-2H-pyran;2H-pyran is sourced from PubChem (CID 158266404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).