6-propyl-3,6-dihydro-2H-pyran

C8H14O — CID 12507030

IUPAC6-propyl-3,6-dihydro-2H-pyran
SMILESCCCC1C=CCCO1
InChIInChI=1S/C8H14O/c1-2-5-8-6-3-4-7-9-8/h3,6,8H,2,4-5,7H2,1H3
InChIKeyHFXWXXUDVTYMRH-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.13
Rot. Bonds2

About 6-propyl-3,6-dihydro-2H-pyran

6-propyl-3,6-dihydro-2H-pyran (PubChem CID 12507030) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 6-propyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name6-propyl-3,6-dihydro-2H-pyran
PubChem CID12507030
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name6-propyl-3,6-dihydro-2H-pyran
SMILESCCCC1C=CCCO1
InChIInChI=1S/C8H14O/c1-2-5-8-6-3-4-7-9-8/h3,6,8H,2,4-5,7H2,1H3
InChIKeyHFXWXXUDVTYMRH-UHFFFAOYSA-N
XLogP2.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 6-propyl-3,6-dihydro-2H-pyran?
The IUPAC name of 6-propyl-3,6-dihydro-2H-pyran (CID 12507030) is 6-propyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 6-propyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 6-propyl-3,6-dihydro-2H-pyran is CCCC1C=CCCO1.
What is the InChIKey of 6-propyl-3,6-dihydro-2H-pyran?
The InChIKey is HFXWXXUDVTYMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-2-5-8-6-3-4-7-9-8/h3,6,8H,2,4-5,7H2,1H3.
What are the key properties of 6-propyl-3,6-dihydro-2H-pyran?
6-propyl-3,6-dihydro-2H-pyran has a molecular weight of 126.20 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 12507030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).