(7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-11,13-dimethyl-1-oxacyclotetradeca-7,12-dien-2-one

C22H40O4Si — CID 58811382

IUPAC(7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-11,13-dimethyl-1-oxacyclotetradeca-7,12-dien-2-one
SMILESCO[C@H]1/C=C/CCCCC(=O)OC/C(C)=C\[C@@H](C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H40O4Si/c1-17-15-18(2)21(26-27(7,8)22(3,4)5)19(24-6)13-11-9-10-12-14-20(23)25-16-17/h11,13,15,18-19,21H,9-10,12,14,16H2,1-8H3/b13-11+,17-15-/t18-,19+,21+/m1/s1
InChIKeyIULIBKCBOQTPIF-PAOAYMACSA-N
MW396.64 g/mol
LogP5.65
Rot. Bonds3

About (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-11,13-dimethyl-1-oxacyclotetradeca-7,12-dien-2-one

(7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-11,13-dimethyl-1-oxacyclotetradeca-7,12-dien-2-one (PubChem CID 58811382) has the molecular formula C22H40O4Si and a molecular weight of 396.64 g/mol. Its IUPAC name is (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-11,13-dimethyl-1-oxacyclotetradeca-7,12-dien-2-one.

Molecular Properties

Compound Name(7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-11,13-dimethyl-1-oxacyclotetradeca-7,12-dien-2-one
PubChem CID58811382
Molecular FormulaC22H40O4Si
Molecular Weight396.64 g/mol
Exact Mass396.27
IUPAC Name(7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-11,13-dimethyl-1-oxacyclotetradeca-7,12-dien-2-one
SMILESCO[C@H]1/C=C/CCCCC(=O)OC/C(C)=C\[C@@H](C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H40O4Si/c1-17-15-18(2)21(26-27(7,8)22(3,4)5)19(24-6)13-11-9-10-12-14-20(23)25-16-17/h11,13,15,18-19,21H,9-10,12,14,16H2,1-8H3/b13-11+,17-15-/t18-,19+,21+/m1/s1
InChIKeyIULIBKCBOQTPIF-PAOAYMACSA-N
XLogP5.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.64
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-11,13-dimethyl-1-oxacyclotetradeca-7,12-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 (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-11,13-dimethyl-1-oxacyclotetradeca-7,12-dien-2-one?
The IUPAC name of (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-11,13-dimethyl-1-oxacyclotetradeca-7,12-dien-2-one (CID 58811382) is (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-11,13-dimethyl-1-oxacyclotetradeca-7,12-dien-2-one.
What is the SMILES notation for (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-11,13-dimethyl-1-oxacyclotetradeca-7,12-dien-2-one?
The canonical SMILES for (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-11,13-dimethyl-1-oxacyclotetradeca-7,12-dien-2-one is CO[C@H]1/C=C/CCCCC(=O)OC/C(C)=C\[C@@H](C)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-11,13-dimethyl-1-oxacyclotetradeca-7,12-dien-2-one?
The InChIKey is IULIBKCBOQTPIF-PAOAYMACSA-N. The full InChI is InChI=1S/C22H40O4Si/c1-17-15-18(2)21(26-27(7,8)22(3,4)5)19(24-6)13-11-9-10-12-14-20(23)25-16-17/h11,13,15,18-19,21H,9-10,12,14,16H2,1-8H3/b13-11+,17-15-/t18-,19+,21+/m1/s1.
What are the key properties of (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-11,13-dimethyl-1-oxacyclotetradeca-7,12-dien-2-one?
(7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-11,13-dimethyl-1-oxacyclotetradeca-7,12-dien-2-one has a molecular weight of 396.64 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,9S,10S,11R,12Z)-10-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-11,13-dimethyl-1-oxacyclotetradeca-7,12-dien-2-one is sourced from PubChem (CID 58811382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).