5-hydroperoxy-3-methoxy-2-undecyl-2,5-dihydrofuran

C16H30O4 — CID 134836323

IUPAC5-hydroperoxy-3-methoxy-2-undecyl-2,5-dihydrofuran
SMILESCCCCCCCCCCCC1OC(OO)C=C1OC
InChIInChI=1S/C16H30O4/c1-3-4-5-6-7-8-9-10-11-12-14-15(18-2)13-16(19-14)20-17/h13-14,16-17H,3-12H2,1-2H3
InChIKeyLLWJKNLAKNHCQZ-UHFFFAOYSA-N
MW286.41 g/mol
LogP4.65
Rot. Bonds12

About 5-hydroperoxy-3-methoxy-2-undecyl-2,5-dihydrofuran

5-hydroperoxy-3-methoxy-2-undecyl-2,5-dihydrofuran (PubChem CID 134836323) has the molecular formula C16H30O4 and a molecular weight of 286.41 g/mol. Its IUPAC name is 5-hydroperoxy-3-methoxy-2-undecyl-2,5-dihydrofuran.

Molecular Properties

Compound Name5-hydroperoxy-3-methoxy-2-undecyl-2,5-dihydrofuran
PubChem CID134836323
Molecular FormulaC16H30O4
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Name5-hydroperoxy-3-methoxy-2-undecyl-2,5-dihydrofuran
SMILESCCCCCCCCCCCC1OC(OO)C=C1OC
InChIInChI=1S/C16H30O4/c1-3-4-5-6-7-8-9-10-11-12-14-15(18-2)13-16(19-14)20-17/h13-14,16-17H,3-12H2,1-2H3
InChIKeyLLWJKNLAKNHCQZ-UHFFFAOYSA-N
XLogP4.65
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 5-hydroperoxy-3-methoxy-2-undecyl-2,5-dihydrofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methoxy-2-undecyl-2,5-dihydrofuran
CID 102055856
3-(Methoxymethoxy)-2-undecyl-2,5-dihydrofuran
CID 102055857
2,4,5-trimethoxy-5-undecyl-2H-furan
CID 134836299
(5S)-2,3-dimethoxy-4-(5-methoxypent-4-enyl)-5-methyl-2,5-dihydrofuran
CID 135015993
5-hexyl-2,4,5-trimethoxy-2H-furan
CID 11368546
(2R,6R)-5,6-diethoxy-2-hexyl-3,6-dihydro-2H-pyran
CID 44605098
(2S,6R)-5,6-diethoxy-2-hexyl-3,6-dihydro-2H-pyran
CID 44606206
(3aE)-2,2-dimethyl-5,6,7,8,9,9a-hexahydrocycloocta[d][1,3]dioxole
CID 155250056
2,2-Dimethyl-5,6,7,8,9,9a-hexahydrocycloocta[d][1,3]dioxole
CID 172759847
1,2,3-Trimethoxy-1-(1,2,3-trimethoxyundec-2-enoxy)undec-2-ene
CID 175164288
1-[6-Ethoxy-6-[1-ethoxy-2,6-di(nonoxy)hex-2-enoxy]-5-nonoxyhex-4-enoxy]nonane
CID 175165384
1,2,3-Trimethoxy-1-(1,2,3-trimethoxydodec-2-enoxy)dodec-2-ene
CID 175167159

Frequently Asked Questions

What is the IUPAC name of 5-hydroperoxy-3-methoxy-2-undecyl-2,5-dihydrofuran?
The IUPAC name of 5-hydroperoxy-3-methoxy-2-undecyl-2,5-dihydrofuran (CID 134836323) is 5-hydroperoxy-3-methoxy-2-undecyl-2,5-dihydrofuran.
What is the SMILES notation for 5-hydroperoxy-3-methoxy-2-undecyl-2,5-dihydrofuran?
The canonical SMILES for 5-hydroperoxy-3-methoxy-2-undecyl-2,5-dihydrofuran is CCCCCCCCCCCC1OC(OO)C=C1OC.
What is the InChIKey of 5-hydroperoxy-3-methoxy-2-undecyl-2,5-dihydrofuran?
The InChIKey is LLWJKNLAKNHCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O4/c1-3-4-5-6-7-8-9-10-11-12-14-15(18-2)13-16(19-14)20-17/h13-14,16-17H,3-12H2,1-2H3.
What are the key properties of 5-hydroperoxy-3-methoxy-2-undecyl-2,5-dihydrofuran?
5-hydroperoxy-3-methoxy-2-undecyl-2,5-dihydrofuran has a molecular weight of 286.41 g/mol, XLogP of 4.65, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroperoxy-3-methoxy-2-undecyl-2,5-dihydrofuran is sourced from PubChem (CID 134836323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).