2,5-bis(hex-3-enyl)-2,3-dihydrofuran

C16H26O — CID 139662910

IUPAC2,5-bis(hex-3-enyl)-2,3-dihydrofuran
SMILESCCC=CCCC1=CCC(CCC=CCC)O1
InChIInChI=1S/C16H26O/c1-3-5-7-9-11-15-13-14-16(17-15)12-10-8-6-4-2/h5-8,13,16H,3-4,9-12,14H2,1-2H3
InChIKeyZOEMOJRFMRALQJ-UHFFFAOYSA-N
MW234.38 g/mol
LogP5.15
Rot. Bonds8

About 2,5-bis(hex-3-enyl)-2,3-dihydrofuran

2,5-bis(hex-3-enyl)-2,3-dihydrofuran (PubChem CID 139662910) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 2,5-bis(hex-3-enyl)-2,3-dihydrofuran.

Molecular Properties

Compound Name2,5-bis(hex-3-enyl)-2,3-dihydrofuran
PubChem CID139662910
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name2,5-bis(hex-3-enyl)-2,3-dihydrofuran
SMILESCCC=CCCC1=CCC(CCC=CCC)O1
InChIInChI=1S/C16H26O/c1-3-5-7-9-11-15-13-14-16(17-15)12-10-8-6-4-2/h5-8,13,16H,3-4,9-12,14H2,1-2H3
InChIKeyZOEMOJRFMRALQJ-UHFFFAOYSA-N
XLogP5.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.38
LogP ≤ 55.15
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

5-[(Z)-hex-3-enyl]-3-methyloxolan-2-one
CID 70117753
2-hex-3-enylcyclopropan-1-ol
CID 123588538
(2S,3S,5R)-2-butyl-5-hex-3-enyloxolan-3-ol
CID 123456053
(1R,2R,5S)-6-ethylbicyclo[3.1.0]hexan-2-ol;(2R)-2-[(Z)-hex-3-enyl]oxirane
CID 161257720
(1R,2R,5S,6R)-6-ethylbicyclo[3.1.0]hexan-2-ol;(2R)-2-[(Z)-hex-3-enyl]oxirane
CID 161257721
4-non-3-enyloxetan-2-one
CID 78148877
(3Z,7Z,11Z)-tetradeca-3,7,11-triene
CID 123167975
(7Z)-deca-3,7-diene
CID 173009236
2-ethyl-2,3-dihydrofuran-5-carbaldehyde
CID 89303634
1-hex-3-enyl-2-methylbenzene
CID 54009738
6-[(E)-hept-4-enyl]oxan-2-one
CID 71587972
5-[(Z)-dec-7-enyl]oxolan-2-one
CID 53238344

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(hex-3-enyl)-2,3-dihydrofuran?
The IUPAC name of 2,5-bis(hex-3-enyl)-2,3-dihydrofuran (CID 139662910) is 2,5-bis(hex-3-enyl)-2,3-dihydrofuran.
What is the SMILES notation for 2,5-bis(hex-3-enyl)-2,3-dihydrofuran?
The canonical SMILES for 2,5-bis(hex-3-enyl)-2,3-dihydrofuran is CCC=CCCC1=CCC(CCC=CCC)O1.
What is the InChIKey of 2,5-bis(hex-3-enyl)-2,3-dihydrofuran?
The InChIKey is ZOEMOJRFMRALQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-3-5-7-9-11-15-13-14-16(17-15)12-10-8-6-4-2/h5-8,13,16H,3-4,9-12,14H2,1-2H3.
What are the key properties of 2,5-bis(hex-3-enyl)-2,3-dihydrofuran?
2,5-bis(hex-3-enyl)-2,3-dihydrofuran has a molecular weight of 234.38 g/mol, XLogP of 5.15, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(hex-3-enyl)-2,3-dihydrofuran is sourced from PubChem (CID 139662910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).