2-butoxy-3-hexyl-3,6-dihydro-2H-pyran

C15H28O2 — CID 19915123

IUPAC2-butoxy-3-hexyl-3,6-dihydro-2H-pyran
SMILESCCCCCCC1C=CCOC1OCCCC
InChIInChI=1S/C15H28O2/c1-3-5-7-8-10-14-11-9-13-17-15(14)16-12-6-4-2/h9,11,14-15H,3-8,10,12-13H2,1-2H3
InChIKeyRFHLSQVUEOVVPQ-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.30
Rot. Bonds9

About 2-butoxy-3-hexyl-3,6-dihydro-2H-pyran

2-butoxy-3-hexyl-3,6-dihydro-2H-pyran (PubChem CID 19915123) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-butoxy-3-hexyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name2-butoxy-3-hexyl-3,6-dihydro-2H-pyran
PubChem CID19915123
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-butoxy-3-hexyl-3,6-dihydro-2H-pyran
SMILESCCCCCCC1C=CCOC1OCCCC
InChIInChI=1S/C15H28O2/c1-3-5-7-8-10-14-11-9-13-17-15(14)16-12-6-4-2/h9,11,14-15H,3-8,10,12-13H2,1-2H3
InChIKeyRFHLSQVUEOVVPQ-UHFFFAOYSA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 175289
6-methoxy-2-pentyl-3,6-dihydro-2H-pyran
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3-Hexyl-3,6-dihydro-2H-pyran
CID 71393879
1-(Diethoxymethyl)cyclohex-1-ene
CID 12540973
3-pentyl-3,6-dihydro-2H-pyran-6-ol
CID 18783514
3-butyl-3,6-dihydro-2H-pyran-6-ol
CID 18783534
3-hexyl-3,6-dihydro-2H-pyran-6-ol
CID 18783536
(E)-1,9,9-triethoxynon-2-ene
CID 20139779
1,9,9-Triethoxynon-2-ene
CID 53889367
2-But-3-enyl-2-(3,3-dimethylcyclohexen-1-yl)-4-methyl-1,3-dioxetane
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Frequently Asked Questions

What is the IUPAC name of 2-butoxy-3-hexyl-3,6-dihydro-2H-pyran?
The IUPAC name of 2-butoxy-3-hexyl-3,6-dihydro-2H-pyran (CID 19915123) is 2-butoxy-3-hexyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 2-butoxy-3-hexyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 2-butoxy-3-hexyl-3,6-dihydro-2H-pyran is CCCCCCC1C=CCOC1OCCCC.
What is the InChIKey of 2-butoxy-3-hexyl-3,6-dihydro-2H-pyran?
The InChIKey is RFHLSQVUEOVVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-3-5-7-8-10-14-11-9-13-17-15(14)16-12-6-4-2/h9,11,14-15H,3-8,10,12-13H2,1-2H3.
What are the key properties of 2-butoxy-3-hexyl-3,6-dihydro-2H-pyran?
2-butoxy-3-hexyl-3,6-dihydro-2H-pyran has a molecular weight of 240.39 g/mol, XLogP of 4.30, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-3-hexyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 19915123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).