4-butyl-5-prop-2-enyl-3,6-dihydro-2H-pyran

C12H20O — CID 11769152

IUPAC4-butyl-5-prop-2-enyl-3,6-dihydro-2H-pyran
SMILESC=CCC1=C(CCCC)CCOC1
InChIInChI=1S/C12H20O/c1-3-5-7-11-8-9-13-10-12(11)6-4-2/h4H,2-3,5-10H2,1H3
InChIKeyBOCVWFSPBOKSFO-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.47
Rot. Bonds5

About 4-butyl-5-prop-2-enyl-3,6-dihydro-2H-pyran

4-butyl-5-prop-2-enyl-3,6-dihydro-2H-pyran (PubChem CID 11769152) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 4-butyl-5-prop-2-enyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name4-butyl-5-prop-2-enyl-3,6-dihydro-2H-pyran
PubChem CID11769152
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name4-butyl-5-prop-2-enyl-3,6-dihydro-2H-pyran
SMILESC=CCC1=C(CCCC)CCOC1
InChIInChI=1S/C12H20O/c1-3-5-7-11-8-9-13-10-12(11)6-4-2/h4H,2-3,5-10H2,1H3
InChIKeyBOCVWFSPBOKSFO-UHFFFAOYSA-N
XLogP3.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.47
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 4-butyl-5-prop-2-enyl-3,6-dihydro-2H-pyran?
The IUPAC name of 4-butyl-5-prop-2-enyl-3,6-dihydro-2H-pyran (CID 11769152) is 4-butyl-5-prop-2-enyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 4-butyl-5-prop-2-enyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 4-butyl-5-prop-2-enyl-3,6-dihydro-2H-pyran is C=CCC1=C(CCCC)CCOC1.
What is the InChIKey of 4-butyl-5-prop-2-enyl-3,6-dihydro-2H-pyran?
The InChIKey is BOCVWFSPBOKSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-3-5-7-11-8-9-13-10-12(11)6-4-2/h4H,2-3,5-10H2,1H3.
What are the key properties of 4-butyl-5-prop-2-enyl-3,6-dihydro-2H-pyran?
4-butyl-5-prop-2-enyl-3,6-dihydro-2H-pyran has a molecular weight of 180.29 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-prop-2-enyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 11769152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).