2-[3-(5-trimethylsilylfuran-3-yl)propyl]dodecanoic acid

C22H40O3Si — CID 70373383

IUPAC2-[3-(5-trimethylsilylfuran-3-yl)propyl]dodecanoic acid
SMILESCCCCCCCCCCC(CCCc1coc([Si](C)(C)C)c1)C(=O)O
InChIInChI=1S/C22H40O3Si/c1-5-6-7-8-9-10-11-12-15-20(22(23)24)16-13-14-19-17-21(25-18-19)26(2,3)4/h17-18,20H,5-16H2,1-4H3,(H,23,24)
InChIKeySFJJDCJMMRLSBE-UHFFFAOYSA-N
MW380.65 g/mol
LogP6.38
Rot. Bonds15

About 2-[3-(5-trimethylsilylfuran-3-yl)propyl]dodecanoic acid

2-[3-(5-trimethylsilylfuran-3-yl)propyl]dodecanoic acid (PubChem CID 70373383) has the molecular formula C22H40O3Si and a molecular weight of 380.65 g/mol. Its IUPAC name is 2-[3-(5-trimethylsilylfuran-3-yl)propyl]dodecanoic acid.

Molecular Properties

Compound Name2-[3-(5-trimethylsilylfuran-3-yl)propyl]dodecanoic acid
PubChem CID70373383
Molecular FormulaC22H40O3Si
Molecular Weight380.65 g/mol
Exact Mass380.27
IUPAC Name2-[3-(5-trimethylsilylfuran-3-yl)propyl]dodecanoic acid
SMILESCCCCCCCCCCC(CCCc1coc([Si](C)(C)C)c1)C(=O)O
InChIInChI=1S/C22H40O3Si/c1-5-6-7-8-9-10-11-12-15-20(22(23)24)16-13-14-19-17-21(25-18-19)26(2,3)4/h17-18,20H,5-16H2,1-4H3,(H,23,24)
InChIKeySFJJDCJMMRLSBE-UHFFFAOYSA-N
XLogP6.38
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.65
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[3-(5-trimethylsilylfuran-3-yl)propyl]dodecanoic acid 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

2-heptadecylicosanoic acid
CID 57459073
2-nonyldodecanoic acid
CID 57283654
2-pentyldodecanoic acid
CID 18521426
2-undecylhexadecanoic acid
CID 139670823
2-hexylpentacosanoic acid
CID 158257677
2-nonylpentadecanoic acid
CID 139605044
(2S)-2-heptyldecanoic acid
CID 171991627
2-dodecyloctacosanoic acid
CID 90897371
2-dodecyldotriacontanoic acid
CID 90853745
2-dodecylhexadecanoic acid;2-dodecylicosanoic acid;2-dodecyloctadecanoic acid;2-hexadecyloctadecanoic acid;2-tetradecylhexadecanoic acid;2-tetradecyloctadecanoic acid
CID 173164625
2-hexylnonanoic acid
CID 18521424
(2S)-2-butyldecanoic acid
CID 98176194

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-trimethylsilylfuran-3-yl)propyl]dodecanoic acid?
The IUPAC name of 2-[3-(5-trimethylsilylfuran-3-yl)propyl]dodecanoic acid (CID 70373383) is 2-[3-(5-trimethylsilylfuran-3-yl)propyl]dodecanoic acid.
What is the SMILES notation for 2-[3-(5-trimethylsilylfuran-3-yl)propyl]dodecanoic acid?
The canonical SMILES for 2-[3-(5-trimethylsilylfuran-3-yl)propyl]dodecanoic acid is CCCCCCCCCCC(CCCc1coc([Si](C)(C)C)c1)C(=O)O.
What is the InChIKey of 2-[3-(5-trimethylsilylfuran-3-yl)propyl]dodecanoic acid?
The InChIKey is SFJJDCJMMRLSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O3Si/c1-5-6-7-8-9-10-11-12-15-20(22(23)24)16-13-14-19-17-21(25-18-19)26(2,3)4/h17-18,20H,5-16H2,1-4H3,(H,23,24).
What are the key properties of 2-[3-(5-trimethylsilylfuran-3-yl)propyl]dodecanoic acid?
2-[3-(5-trimethylsilylfuran-3-yl)propyl]dodecanoic acid has a molecular weight of 380.65 g/mol, XLogP of 6.38, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-trimethylsilylfuran-3-yl)propyl]dodecanoic acid is sourced from PubChem (CID 70373383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).