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

C12H20O — CID 10877737

IUPAC6-butyl-5-prop-2-enyl-3,6-dihydro-2H-pyran
SMILESC=CCC1=CCCOC1CCCC
InChIInChI=1S/C12H20O/c1-3-5-9-12-11(7-4-2)8-6-10-13-12/h4,8,12H,2-3,5-7,9-10H2,1H3
InChIKeyOISMRJSKJDXAAP-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.47
Rot. Bonds5

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

6-butyl-5-prop-2-enyl-3,6-dihydro-2H-pyran (PubChem CID 10877737) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 6-butyl-5-prop-2-enyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name6-butyl-5-prop-2-enyl-3,6-dihydro-2H-pyran
PubChem CID10877737
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name6-butyl-5-prop-2-enyl-3,6-dihydro-2H-pyran
SMILESC=CCC1=CCCOC1CCCC
InChIInChI=1S/C12H20O/c1-3-5-9-12-11(7-4-2)8-6-10-13-12/h4,8,12H,2-3,5-7,9-10H2,1H3
InChIKeyOISMRJSKJDXAAP-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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Related Compounds

(+-)-Nerol oxide
CID 61275
2,4,5,7a-Tetrahydro-3,6-dimethylbenzofuran
CID 21606187
2H-Pyran, 6-butyl-3,6-dihydro-2,4-dimethyl-
CID 91147
2-Butyl-5,6-dihydro-2,4-dimethyl-2H-pyran
CID 3017306
(6E,10E,14E)-3,6,10,14-tetramethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan
CID 23425614
2H-Pyran, 2-butyl-3,6-dihydro-4,6-dimethyl-
CID 91148
2H-Pyran, 3,6-dihydro-4-(4-methyl-3-penten-1-yl)-
CID 91909
4-Methylidene-2-(2-methylprop-1-enyl)oxane
CID 108520
2H-Pyran, 3,6-dihydro-5-(4-methyl-3-pentenyl)-
CID 172806
3,6-dihydro-4-methyl-2-(2-methylpropyl)-2H-pyran
CID 108400
(2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran
CID 11062576
(2R)-3-methyl-2-(3-methylbut-3-enyl)-2,5-dihydrofuran
CID 163015296

Frequently Asked Questions

What is the IUPAC name of 6-butyl-5-prop-2-enyl-3,6-dihydro-2H-pyran?
The IUPAC name of 6-butyl-5-prop-2-enyl-3,6-dihydro-2H-pyran (CID 10877737) is 6-butyl-5-prop-2-enyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 6-butyl-5-prop-2-enyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 6-butyl-5-prop-2-enyl-3,6-dihydro-2H-pyran is C=CCC1=CCCOC1CCCC.
What is the InChIKey of 6-butyl-5-prop-2-enyl-3,6-dihydro-2H-pyran?
The InChIKey is OISMRJSKJDXAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-3-5-9-12-11(7-4-2)8-6-10-13-12/h4,8,12H,2-3,5-7,9-10H2,1H3.
What are the key properties of 6-butyl-5-prop-2-enyl-3,6-dihydro-2H-pyran?
6-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 6-butyl-5-prop-2-enyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 10877737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).