3-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)-2H-furan-5-one

C25H38O2 — CID 163069688

IUPAC3-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)-2H-furan-5-one
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC1=CC(=O)OC1
InChIInChI=1S/C25H38O2/c1-20(2)10-6-11-21(3)12-7-13-22(4)14-8-15-23(5)16-9-17-24-18-25(26)27-19-24/h10,12,14,16,18H,6-9,11,13,15,17,19H2,1-5H3
InChIKeyNSOLOFCWLXZPAF-UHFFFAOYSA-N
MW370.58 g/mol
LogP7.40
Rot. Bonds12

About 3-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)-2H-furan-5-one

3-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)-2H-furan-5-one (PubChem CID 163069688) has the molecular formula C25H38O2 and a molecular weight of 370.58 g/mol. Its IUPAC name is 3-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)-2H-furan-5-one.

Molecular Properties

Compound Name3-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)-2H-furan-5-one
PubChem CID163069688
Molecular FormulaC25H38O2
Molecular Weight370.58 g/mol
Exact Mass370.29
IUPAC Name3-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)-2H-furan-5-one
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC1=CC(=O)OC1
InChIInChI=1S/C25H38O2/c1-20(2)10-6-11-21(3)12-7-13-22(4)14-8-15-23(5)16-9-17-24-18-25(26)27-19-24/h10,12,14,16,18H,6-9,11,13,15,17,19H2,1-5H3
InChIKeyNSOLOFCWLXZPAF-UHFFFAOYSA-N
XLogP7.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)-2H-furan-5-one with MolForge

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Launch Full Analysis

Related Compounds

Geranyl Acetate
CID 1549026
Methyl geranate
CID 5365910
Geranyl tiglate
CID 5367785
Gefarnate
CID 5282182
Neryl acetate
CID 1549025
Farnesyl acetate
CID 94403
Ethyl 3,7-dimethylocta-2,6-dienoate
CID 114614
Methyl farnesoate
CID 5275508
trans,trans-Farnesyl acetate
CID 638500
Ethyl 3,7-dimethyl-2,6-octadienoate
CID 5365917
(,E)-3,7-Dimethyl-2,6-octadienyl 2-butenoate
CID 5980396
2,6-Octadienoic acid, 3,7-dimethyl-, ethyl ester
CID 5317247

Frequently Asked Questions

What is the IUPAC name of 3-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)-2H-furan-5-one?
The IUPAC name of 3-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)-2H-furan-5-one (CID 163069688) is 3-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)-2H-furan-5-one.
What is the SMILES notation for 3-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)-2H-furan-5-one?
The canonical SMILES for 3-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)-2H-furan-5-one is CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC1=CC(=O)OC1.
What is the InChIKey of 3-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)-2H-furan-5-one?
The InChIKey is NSOLOFCWLXZPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38O2/c1-20(2)10-6-11-21(3)12-7-13-22(4)14-8-15-23(5)16-9-17-24-18-25(26)27-19-24/h10,12,14,16,18H,6-9,11,13,15,17,19H2,1-5H3.
What are the key properties of 3-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)-2H-furan-5-one?
3-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)-2H-furan-5-one has a molecular weight of 370.58 g/mol, XLogP of 7.40, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)-2H-furan-5-one is sourced from PubChem (CID 163069688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).