2-nona-3,6-dienoxy-5-pentyloxolane

C18H32O2 — CID 86006444

IUPAC2-nona-3,6-dienoxy-5-pentyloxolane
SMILESCCC=CCC=CCCOC1CCC(CCCCC)O1
InChIInChI=1S/C18H32O2/c1-3-5-7-8-9-10-12-16-19-18-15-14-17(20-18)13-11-6-4-2/h5,7,9-10,17-18H,3-4,6,8,11-16H2,1-2H3
InChIKeyNOWSFOHDHMDSDK-UHFFFAOYSA-N
MW280.45 g/mol
LogP5.39
Rot. Bonds11

About 2-nona-3,6-dienoxy-5-pentyloxolane

2-nona-3,6-dienoxy-5-pentyloxolane (PubChem CID 86006444) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is 2-nona-3,6-dienoxy-5-pentyloxolane.

Molecular Properties

Compound Name2-nona-3,6-dienoxy-5-pentyloxolane
PubChem CID86006444
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name2-nona-3,6-dienoxy-5-pentyloxolane
SMILESCCC=CCC=CCCOC1CCC(CCCCC)O1
InChIInChI=1S/C18H32O2/c1-3-5-7-8-9-10-12-16-19-18-15-14-17(20-18)13-11-6-4-2/h5,7,9-10,17-18H,3-4,6,8,11-16H2,1-2H3
InChIKeyNOWSFOHDHMDSDK-UHFFFAOYSA-N
XLogP5.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 55.39
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

4-(5-dodecoxyoxolan-2-yl)-N,N-dimethylbutan-1-amine
CID 153365543
2-[4-[(E)-hex-3-enoxy]butyl]oxirane
CID 22768288
1-[6-(5-hexyloxolan-2-yl)oxyhexyl]-4-phenylpyridin-1-ium
CID 19835756
2-[6-(5-hexyloxolan-2-yl)oxyhexyl]-1,3-thiazole;hydrochloride
CID 173396802
2-[(4Z,7Z)-deca-4,7-dienoxy]oxane
CID 10966579
(2S,5R)-2,5-di(pentadecyl)oxolane
CID 71352690
2-[(E)-dec-3-enoxy]oxane
CID 15649194
1-icosa-5,8,11,14-tetraenoxyicosa-5,8,11,14-tetraene
CID 54078001
(2S)-2-methyl-6-tetradecoxyoxan-3-ol
CID 144591243
henicosa-3,6-diene
CID 72727393
hexadeca-3,6,9-triene
CID 56627141
(3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene
CID 158472719

Frequently Asked Questions

What is the IUPAC name of 2-nona-3,6-dienoxy-5-pentyloxolane?
The IUPAC name of 2-nona-3,6-dienoxy-5-pentyloxolane (CID 86006444) is 2-nona-3,6-dienoxy-5-pentyloxolane.
What is the SMILES notation for 2-nona-3,6-dienoxy-5-pentyloxolane?
The canonical SMILES for 2-nona-3,6-dienoxy-5-pentyloxolane is CCC=CCC=CCCOC1CCC(CCCCC)O1.
What is the InChIKey of 2-nona-3,6-dienoxy-5-pentyloxolane?
The InChIKey is NOWSFOHDHMDSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2/c1-3-5-7-8-9-10-12-16-19-18-15-14-17(20-18)13-11-6-4-2/h5,7,9-10,17-18H,3-4,6,8,11-16H2,1-2H3.
What are the key properties of 2-nona-3,6-dienoxy-5-pentyloxolane?
2-nona-3,6-dienoxy-5-pentyloxolane has a molecular weight of 280.45 g/mol, XLogP of 5.39, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nona-3,6-dienoxy-5-pentyloxolane is sourced from PubChem (CID 86006444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).