methyl 10-[5-(furan-2-ylmethyl)furan-3-yl]-3,7-dimethyldec-7-enoate

C22H30O4 — CID 163047395

IUPACmethyl 10-[5-(furan-2-ylmethyl)furan-3-yl]-3,7-dimethyldec-7-enoate
SMILESCOC(=O)CC(C)CCCC(C)=CCCc1coc(Cc2ccco2)c1
InChIInChI=1S/C22H30O4/c1-17(7-4-9-18(2)13-22(23)24-3)8-5-10-19-14-21(26-16-19)15-20-11-6-12-25-20/h6,8,11-12,14,16,18H,4-5,7,9-10,13,15H2,1-3H3
InChIKeyLLSOQDIXKJXJRD-UHFFFAOYSA-N
MW358.48 g/mol
LogP5.71
Rot. Bonds11

About methyl 10-[5-(furan-2-ylmethyl)furan-3-yl]-3,7-dimethyldec-7-enoate

methyl 10-[5-(furan-2-ylmethyl)furan-3-yl]-3,7-dimethyldec-7-enoate (PubChem CID 163047395) has the molecular formula C22H30O4 and a molecular weight of 358.48 g/mol. Its IUPAC name is methyl 10-[5-(furan-2-ylmethyl)furan-3-yl]-3,7-dimethyldec-7-enoate.

Molecular Properties

Compound Namemethyl 10-[5-(furan-2-ylmethyl)furan-3-yl]-3,7-dimethyldec-7-enoate
PubChem CID163047395
Molecular FormulaC22H30O4
Molecular Weight358.48 g/mol
Exact Mass358.21
IUPAC Namemethyl 10-[5-(furan-2-ylmethyl)furan-3-yl]-3,7-dimethyldec-7-enoate
SMILESCOC(=O)CC(C)CCCC(C)=CCCc1coc(Cc2ccco2)c1
InChIInChI=1S/C22H30O4/c1-17(7-4-9-18(2)13-22(23)24-3)8-5-10-19-14-21(26-16-19)15-20-11-6-12-25-20/h6,8,11-12,14,16,18H,4-5,7,9-10,13,15H2,1-3H3
InChIKeyLLSOQDIXKJXJRD-UHFFFAOYSA-N
XLogP5.71
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 10-[5-(furan-2-ylmethyl)furan-3-yl]-3,7-dimethyldec-7-enoate 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

methyl (E,9R,13R)-5,9,13,17-tetramethyloctadec-4-enoate
CID 24840684
methyl 14-(furan-2-yl)-5,12-dihydroxytetradeca-6,10-dienoate
CID 70461055
3-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15-tetraenyl)furan
CID 123833340
methyl 3-[4-(furan-2-yl)butan-2-ylamino]propanoate
CID 43478962
1-(furan-2-yl)-6-methylheptan-2-one
CID 123946123
[2-[9-[5-(furan-3-ylmethyl)furan-3-yl]-2,6-dimethylnon-5-enylidene]-4-methyl-5-oxofuran-3-yl] hydrogen sulfate
CID 162800770
(5Z)-5-[(Z,2R)-9-[5-(furan-3-ylmethyl)furan-3-yl]-2,6-dimethylnon-5-enylidene]-3-methyloxolane-2,4-dione
CID 91900269
2-methylpropyl 2-(furan-2-yl)acetate
CID 156705031
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264
2,3-dimethylbutan-2-yl-[(E)-6-(furan-2-yl)-3-methylhex-3-enoxy]-dimethylsilane
CID 10615855
methyl 3-methyl-4-phenylbutanoate;methyl 3-methyl-6-phenylhexanoate;6-phenylhexanoic acid
CID 161176679
(6E,10S,14E)-17-(furan-3-yl)-2,6,10,14-tetramethylheptadeca-6,14-diene-4,12-dione
CID 11280638

Frequently Asked Questions

What is the IUPAC name of methyl 10-[5-(furan-2-ylmethyl)furan-3-yl]-3,7-dimethyldec-7-enoate?
The IUPAC name of methyl 10-[5-(furan-2-ylmethyl)furan-3-yl]-3,7-dimethyldec-7-enoate (CID 163047395) is methyl 10-[5-(furan-2-ylmethyl)furan-3-yl]-3,7-dimethyldec-7-enoate.
What is the SMILES notation for methyl 10-[5-(furan-2-ylmethyl)furan-3-yl]-3,7-dimethyldec-7-enoate?
The canonical SMILES for methyl 10-[5-(furan-2-ylmethyl)furan-3-yl]-3,7-dimethyldec-7-enoate is COC(=O)CC(C)CCCC(C)=CCCc1coc(Cc2ccco2)c1.
What is the InChIKey of methyl 10-[5-(furan-2-ylmethyl)furan-3-yl]-3,7-dimethyldec-7-enoate?
The InChIKey is LLSOQDIXKJXJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O4/c1-17(7-4-9-18(2)13-22(23)24-3)8-5-10-19-14-21(26-16-19)15-20-11-6-12-25-20/h6,8,11-12,14,16,18H,4-5,7,9-10,13,15H2,1-3H3.
What are the key properties of methyl 10-[5-(furan-2-ylmethyl)furan-3-yl]-3,7-dimethyldec-7-enoate?
methyl 10-[5-(furan-2-ylmethyl)furan-3-yl]-3,7-dimethyldec-7-enoate has a molecular weight of 358.48 g/mol, XLogP of 5.71, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-[5-(furan-2-ylmethyl)furan-3-yl]-3,7-dimethyldec-7-enoate is sourced from PubChem (CID 163047395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).