(12Z,15Z)-4-[tert-butyl(dimethyl)silyl]oxyhenicosa-12,15-dien-2-one

C27H52O2Si — CID 89431987

IUPAC(12Z,15Z)-4-[tert-butyl(dimethyl)silyl]oxyhenicosa-12,15-dien-2-one
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(CC(C)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H52O2Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(24-25(2)28)29-30(6,7)27(3,4)5/h12-13,15-16,26H,8-11,14,17-24H2,1-7H3/b13-12-,16-15-
InChIKeyKUHJTMHLORRPNO-QGLGPCELSA-N
MW436.80 g/mol
LogP9.17
Rot. Bonds18

About (12Z,15Z)-4-[tert-butyl(dimethyl)silyl]oxyhenicosa-12,15-dien-2-one

(12Z,15Z)-4-[tert-butyl(dimethyl)silyl]oxyhenicosa-12,15-dien-2-one (PubChem CID 89431987) has the molecular formula C27H52O2Si and a molecular weight of 436.80 g/mol. Its IUPAC name is (12Z,15Z)-4-[tert-butyl(dimethyl)silyl]oxyhenicosa-12,15-dien-2-one.

Molecular Properties

Compound Name(12Z,15Z)-4-[tert-butyl(dimethyl)silyl]oxyhenicosa-12,15-dien-2-one
PubChem CID89431987
Molecular FormulaC27H52O2Si
Molecular Weight436.80 g/mol
Exact Mass436.37
IUPAC Name(12Z,15Z)-4-[tert-butyl(dimethyl)silyl]oxyhenicosa-12,15-dien-2-one
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(CC(C)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H52O2Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(24-25(2)28)29-30(6,7)27(3,4)5/h12-13,15-16,26H,8-11,14,17-24H2,1-7H3/b13-12-,16-15-
InChIKeyKUHJTMHLORRPNO-QGLGPCELSA-N
XLogP9.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.80
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (12Z,15Z)-4-[tert-butyl(dimethyl)silyl]oxyhenicosa-12,15-dien-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (12Z,15Z)-4-[tert-butyl(dimethyl)silyl]oxyhenicosa-12,15-dien-2-one?
The IUPAC name of (12Z,15Z)-4-[tert-butyl(dimethyl)silyl]oxyhenicosa-12,15-dien-2-one (CID 89431987) is (12Z,15Z)-4-[tert-butyl(dimethyl)silyl]oxyhenicosa-12,15-dien-2-one.
What is the SMILES notation for (12Z,15Z)-4-[tert-butyl(dimethyl)silyl]oxyhenicosa-12,15-dien-2-one?
The canonical SMILES for (12Z,15Z)-4-[tert-butyl(dimethyl)silyl]oxyhenicosa-12,15-dien-2-one is CCCCC/C=C\C/C=C\CCCCCCCC(CC(C)=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (12Z,15Z)-4-[tert-butyl(dimethyl)silyl]oxyhenicosa-12,15-dien-2-one?
The InChIKey is KUHJTMHLORRPNO-QGLGPCELSA-N. The full InChI is InChI=1S/C27H52O2Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(24-25(2)28)29-30(6,7)27(3,4)5/h12-13,15-16,26H,8-11,14,17-24H2,1-7H3/b13-12-,16-15-.
What are the key properties of (12Z,15Z)-4-[tert-butyl(dimethyl)silyl]oxyhenicosa-12,15-dien-2-one?
(12Z,15Z)-4-[tert-butyl(dimethyl)silyl]oxyhenicosa-12,15-dien-2-one has a molecular weight of 436.80 g/mol, XLogP of 9.17, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (12Z,15Z)-4-[tert-butyl(dimethyl)silyl]oxyhenicosa-12,15-dien-2-one is sourced from PubChem (CID 89431987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).