5-(6-methylundecan-6-yl)-3-(5-methylundecan-5-yloxy)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole

C30H59NO2 — CID 139315486

IUPAC5-(6-methylundecan-6-yl)-3-(5-methylundecan-5-yloxy)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
SMILESCCCCCCC(C)(CCCC)OC1COC2CN(C(C)(CCCCC)CCCCC)CC21
InChIInChI=1S/C30H59NO2/c1-7-11-15-18-22-30(6,21-14-10-4)33-28-25-32-27-24-31(23-26(27)28)29(5,19-16-12-8-2)20-17-13-9-3/h26-28H,7-25H2,1-6H3
InChIKeyHUMLXGYYVCDGRL-UHFFFAOYSA-N
MW465.81 g/mol
LogP8.54
Rot. Bonds19

About 5-(6-methylundecan-6-yl)-3-(5-methylundecan-5-yloxy)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole

5-(6-methylundecan-6-yl)-3-(5-methylundecan-5-yloxy)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole (PubChem CID 139315486) has the molecular formula C30H59NO2 and a molecular weight of 465.81 g/mol. Its IUPAC name is 5-(6-methylundecan-6-yl)-3-(5-methylundecan-5-yloxy)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole.

Molecular Properties

Compound Name5-(6-methylundecan-6-yl)-3-(5-methylundecan-5-yloxy)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
PubChem CID139315486
Molecular FormulaC30H59NO2
Molecular Weight465.81 g/mol
Exact Mass465.45
IUPAC Name5-(6-methylundecan-6-yl)-3-(5-methylundecan-5-yloxy)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
SMILESCCCCCCC(C)(CCCC)OC1COC2CN(C(C)(CCCCC)CCCCC)CC21
InChIInChI=1S/C30H59NO2/c1-7-11-15-18-22-30(6,21-14-10-4)33-28-25-32-27-24-31(23-26(27)28)29(5,19-16-12-8-2)20-17-13-9-3/h26-28H,7-25H2,1-6H3
InChIKeyHUMLXGYYVCDGRL-UHFFFAOYSA-N
XLogP8.54
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.81
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(6-methylundecan-6-yl)-3-(5-methylundecan-5-yloxy)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole with MolForge

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Related Compounds

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1-(5-methyldecan-5-yl)azetidine-3-carboxylic acid
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3-methyl-1-(5-methyldodecan-5-yl)azetidin-3-ol
CID 139320078
1-(7-methyltridecan-7-yl)pyrrolidine
CID 131990775
2-(2,6-dimethylmorpholin-4-yl)-2-methyloctan-1-amine
CID 43089493
5-(6-methyldodecan-6-yl)-N-(7-methyltridecan-7-yl)-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine
CID 139315711
2-(3-methylnonan-3-yloxymethyl)oxirane
CID 154930049
3-(5-methyldodecan-5-yl)oxetane
CID 130337165
(3S)-3-(4-methyloctan-4-yloxy)oxolane
CID 154936656
2-(3,4-dimethylpyrrolidin-1-yl)-2-methylheptan-1-amine
CID 80557534

Frequently Asked Questions

What is the IUPAC name of 5-(6-methylundecan-6-yl)-3-(5-methylundecan-5-yloxy)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The IUPAC name of 5-(6-methylundecan-6-yl)-3-(5-methylundecan-5-yloxy)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole (CID 139315486) is 5-(6-methylundecan-6-yl)-3-(5-methylundecan-5-yloxy)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole.
What is the SMILES notation for 5-(6-methylundecan-6-yl)-3-(5-methylundecan-5-yloxy)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The canonical SMILES for 5-(6-methylundecan-6-yl)-3-(5-methylundecan-5-yloxy)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole is CCCCCCC(C)(CCCC)OC1COC2CN(C(C)(CCCCC)CCCCC)CC21.
What is the InChIKey of 5-(6-methylundecan-6-yl)-3-(5-methylundecan-5-yloxy)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The InChIKey is HUMLXGYYVCDGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H59NO2/c1-7-11-15-18-22-30(6,21-14-10-4)33-28-25-32-27-24-31(23-26(27)28)29(5,19-16-12-8-2)20-17-13-9-3/h26-28H,7-25H2,1-6H3.
What are the key properties of 5-(6-methylundecan-6-yl)-3-(5-methylundecan-5-yloxy)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
5-(6-methylundecan-6-yl)-3-(5-methylundecan-5-yloxy)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole has a molecular weight of 465.81 g/mol, XLogP of 8.54, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methylundecan-6-yl)-3-(5-methylundecan-5-yloxy)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole is sourced from PubChem (CID 139315486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).