2,4,5-trimethoxy-5-undecyl-2H-furan

C18H34O4 — CID 134836299

IUPAC2,4,5-trimethoxy-5-undecyl-2H-furan
SMILESCCCCCCCCCCCC1(OC)OC(OC)C=C1OC
InChIInChI=1S/C18H34O4/c1-5-6-7-8-9-10-11-12-13-14-18(21-4)16(19-2)15-17(20-3)22-18/h15,17H,5-14H2,1-4H3
InChIKeyLLAIYOBBNPANGJ-UHFFFAOYSA-N
MW314.47 g/mol
LogP4.78
Rot. Bonds13

About 2,4,5-trimethoxy-5-undecyl-2H-furan

2,4,5-trimethoxy-5-undecyl-2H-furan (PubChem CID 134836299) has the molecular formula C18H34O4 and a molecular weight of 314.47 g/mol. Its IUPAC name is 2,4,5-trimethoxy-5-undecyl-2H-furan.

Molecular Properties

Compound Name2,4,5-trimethoxy-5-undecyl-2H-furan
PubChem CID134836299
Molecular FormulaC18H34O4
Molecular Weight314.47 g/mol
Exact Mass314.25
IUPAC Name2,4,5-trimethoxy-5-undecyl-2H-furan
SMILESCCCCCCCCCCCC1(OC)OC(OC)C=C1OC
InChIInChI=1S/C18H34O4/c1-5-6-7-8-9-10-11-12-13-14-18(21-4)16(19-2)15-17(20-3)22-18/h15,17H,5-14H2,1-4H3
InChIKeyLLAIYOBBNPANGJ-UHFFFAOYSA-N
XLogP4.78
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_misc_A(5)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(z,z)-6,9-Heneicosadien-11-one ethylene ketal
CID 129866832
2-(Deca-1,4-dien-1-YL)-2-decyl-1,3-dioxolane
CID 71422196
methyl (2Z)-2-(2,5-dihexyl-1,3-dioxolan-4-ylidene)acetate
CID 101153858
3-(Methoxymethoxy)-2-undecyl-2,5-dihydrofuran
CID 102055857
5-Hydroperoxy-3-methoxy-2-undecyl-2,5-dihydrofuran
CID 134836323
(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
6-[7-(oxan-2-yloxy)heptoxymethyl]-3,4-dihydro-2H-pyran
CID 15097252
(4Z,5S)-2,2-dimethyl-4-propylidene-5-tetradec-7-ynyl-1,3-dioxolane
CID 58429883
(4Z,5R)-2,2-dimethyl-4-propylidene-5-tetradec-7-ynyl-1,3-dioxolane
CID 68236505

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethoxy-5-undecyl-2H-furan?
The IUPAC name of 2,4,5-trimethoxy-5-undecyl-2H-furan (CID 134836299) is 2,4,5-trimethoxy-5-undecyl-2H-furan.
What is the SMILES notation for 2,4,5-trimethoxy-5-undecyl-2H-furan?
The canonical SMILES for 2,4,5-trimethoxy-5-undecyl-2H-furan is CCCCCCCCCCCC1(OC)OC(OC)C=C1OC.
What is the InChIKey of 2,4,5-trimethoxy-5-undecyl-2H-furan?
The InChIKey is LLAIYOBBNPANGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O4/c1-5-6-7-8-9-10-11-12-13-14-18(21-4)16(19-2)15-17(20-3)22-18/h15,17H,5-14H2,1-4H3.
What are the key properties of 2,4,5-trimethoxy-5-undecyl-2H-furan?
2,4,5-trimethoxy-5-undecyl-2H-furan has a molecular weight of 314.47 g/mol, XLogP of 4.78, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethoxy-5-undecyl-2H-furan is sourced from PubChem (CID 134836299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).