5-hexyl-2-methoxy-2-methyl-3,4-dihydropyran

C13H24O2 — CID 19091309

IUPAC5-hexyl-2-methoxy-2-methyl-3,4-dihydropyran
SMILESCCCCCCC1=COC(C)(OC)CC1
InChIInChI=1S/C13H24O2/c1-4-5-6-7-8-12-9-10-13(2,14-3)15-11-12/h11H,4-10H2,1-3H3
InChIKeyPIZJLQHBBQFKIB-UHFFFAOYSA-N
MW212.33 g/mol
LogP4.01
Rot. Bonds6

About 5-hexyl-2-methoxy-2-methyl-3,4-dihydropyran

5-hexyl-2-methoxy-2-methyl-3,4-dihydropyran (PubChem CID 19091309) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 5-hexyl-2-methoxy-2-methyl-3,4-dihydropyran.

Molecular Properties

Compound Name5-hexyl-2-methoxy-2-methyl-3,4-dihydropyran
PubChem CID19091309
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name5-hexyl-2-methoxy-2-methyl-3,4-dihydropyran
SMILESCCCCCCC1=COC(C)(OC)CC1
InChIInChI=1S/C13H24O2/c1-4-5-6-7-8-12-9-10-13(2,14-3)15-11-12/h11H,4-10H2,1-3H3
InChIKeyPIZJLQHBBQFKIB-UHFFFAOYSA-N
XLogP4.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hexyl-2-methoxy-2-methyl-3,4-dihydropyran?
The IUPAC name of 5-hexyl-2-methoxy-2-methyl-3,4-dihydropyran (CID 19091309) is 5-hexyl-2-methoxy-2-methyl-3,4-dihydropyran.
What is the SMILES notation for 5-hexyl-2-methoxy-2-methyl-3,4-dihydropyran?
The canonical SMILES for 5-hexyl-2-methoxy-2-methyl-3,4-dihydropyran is CCCCCCC1=COC(C)(OC)CC1.
What is the InChIKey of 5-hexyl-2-methoxy-2-methyl-3,4-dihydropyran?
The InChIKey is PIZJLQHBBQFKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-5-6-7-8-12-9-10-13(2,14-3)15-11-12/h11H,4-10H2,1-3H3.
What are the key properties of 5-hexyl-2-methoxy-2-methyl-3,4-dihydropyran?
5-hexyl-2-methoxy-2-methyl-3,4-dihydropyran has a molecular weight of 212.33 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-2-methoxy-2-methyl-3,4-dihydropyran is sourced from PubChem (CID 19091309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).