(2R)-2-[(2R,3S,4E,6E,9S,10S,11R,12E,14E)-3-methoxy-7,9,11,13,15-pentamethyl-16-oxo-10-trimethylsilyloxy-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]propanal

C27H44O5Si — CID 11049060

IUPAC(2R)-2-[(2R,3S,4E,6E,9S,10S,11R,12E,14E)-3-methoxy-7,9,11,13,15-pentamethyl-16-oxo-10-trimethylsilyloxy-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]propanal
SMILESCO[C@H]1/C=C/C=C(\C)C[C@H](C)[C@H](O[Si](C)(C)C)[C@H](C)/C=C(C)/C=C(\C)C(=O)O[C@@H]1[C@@H](C)C=O
InChIInChI=1S/C27H44O5Si/c1-18-12-11-13-24(30-7)26(23(6)17-28)31-27(29)22(5)16-19(2)15-21(4)25(20(3)14-18)32-33(8,9)10/h11-13,15-17,20-21,23-26H,14H2,1-10H3/b13-11+,18-12+,19-15+,22-16+/t20-,21+,23-,24-,25-,26+/m0/s1
InChIKeyPYZRXVKXZSQOFR-VGMHDXSKSA-N
MW476.73 g/mol
LogP6.04
Rot. Bonds5

About (2R)-2-[(2R,3S,4E,6E,9S,10S,11R,12E,14E)-3-methoxy-7,9,11,13,15-pentamethyl-16-oxo-10-trimethylsilyloxy-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]propanal

(2R)-2-[(2R,3S,4E,6E,9S,10S,11R,12E,14E)-3-methoxy-7,9,11,13,15-pentamethyl-16-oxo-10-trimethylsilyloxy-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]propanal (PubChem CID 11049060) has the molecular formula C27H44O5Si and a molecular weight of 476.73 g/mol. Its IUPAC name is (2R)-2-[(2R,3S,4E,6E,9S,10S,11R,12E,14E)-3-methoxy-7,9,11,13,15-pentamethyl-16-oxo-10-trimethylsilyloxy-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]propanal.

Molecular Properties

Compound Name(2R)-2-[(2R,3S,4E,6E,9S,10S,11R,12E,14E)-3-methoxy-7,9,11,13,15-pentamethyl-16-oxo-10-trimethylsilyloxy-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]propanal
PubChem CID11049060
Molecular FormulaC27H44O5Si
Molecular Weight476.73 g/mol
Exact Mass476.30
IUPAC Name(2R)-2-[(2R,3S,4E,6E,9S,10S,11R,12E,14E)-3-methoxy-7,9,11,13,15-pentamethyl-16-oxo-10-trimethylsilyloxy-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]propanal
SMILESCO[C@H]1/C=C/C=C(\C)C[C@H](C)[C@H](O[Si](C)(C)C)[C@H](C)/C=C(C)/C=C(\C)C(=O)O[C@@H]1[C@@H](C)C=O
InChIInChI=1S/C27H44O5Si/c1-18-12-11-13-24(30-7)26(23(6)17-28)31-27(29)22(5)16-19(2)15-21(4)25(20(3)14-18)32-33(8,9)10/h11-13,15-17,20-21,23-26H,14H2,1-10H3/b13-11+,18-12+,19-15+,22-16+/t20-,21+,23-,24-,25-,26+/m0/s1
InChIKeyPYZRXVKXZSQOFR-VGMHDXSKSA-N
XLogP6.04
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.73
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-2-[(2R,3S,4E,6E,9S,10S,11R,12E,14E)-3-methoxy-7,9,11,13,15-pentamethyl-16-oxo-10-trimethylsilyloxy-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]propanal 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 (2R)-2-[(2R,3S,4E,6E,9S,10S,11R,12E,14E)-3-methoxy-7,9,11,13,15-pentamethyl-16-oxo-10-trimethylsilyloxy-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]propanal?
The IUPAC name of (2R)-2-[(2R,3S,4E,6E,9S,10S,11R,12E,14E)-3-methoxy-7,9,11,13,15-pentamethyl-16-oxo-10-trimethylsilyloxy-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]propanal (CID 11049060) is (2R)-2-[(2R,3S,4E,6E,9S,10S,11R,12E,14E)-3-methoxy-7,9,11,13,15-pentamethyl-16-oxo-10-trimethylsilyloxy-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]propanal.
What is the SMILES notation for (2R)-2-[(2R,3S,4E,6E,9S,10S,11R,12E,14E)-3-methoxy-7,9,11,13,15-pentamethyl-16-oxo-10-trimethylsilyloxy-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]propanal?
The canonical SMILES for (2R)-2-[(2R,3S,4E,6E,9S,10S,11R,12E,14E)-3-methoxy-7,9,11,13,15-pentamethyl-16-oxo-10-trimethylsilyloxy-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]propanal is CO[C@H]1/C=C/C=C(\C)C[C@H](C)[C@H](O[Si](C)(C)C)[C@H](C)/C=C(C)/C=C(\C)C(=O)O[C@@H]1[C@@H](C)C=O.
What is the InChIKey of (2R)-2-[(2R,3S,4E,6E,9S,10S,11R,12E,14E)-3-methoxy-7,9,11,13,15-pentamethyl-16-oxo-10-trimethylsilyloxy-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]propanal?
The InChIKey is PYZRXVKXZSQOFR-VGMHDXSKSA-N. The full InChI is InChI=1S/C27H44O5Si/c1-18-12-11-13-24(30-7)26(23(6)17-28)31-27(29)22(5)16-19(2)15-21(4)25(20(3)14-18)32-33(8,9)10/h11-13,15-17,20-21,23-26H,14H2,1-10H3/b13-11+,18-12+,19-15+,22-16+/t20-,21+,23-,24-,25-,26+/m0/s1.
What are the key properties of (2R)-2-[(2R,3S,4E,6E,9S,10S,11R,12E,14E)-3-methoxy-7,9,11,13,15-pentamethyl-16-oxo-10-trimethylsilyloxy-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]propanal?
(2R)-2-[(2R,3S,4E,6E,9S,10S,11R,12E,14E)-3-methoxy-7,9,11,13,15-pentamethyl-16-oxo-10-trimethylsilyloxy-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]propanal has a molecular weight of 476.73 g/mol, XLogP of 6.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R,3S,4E,6E,9S,10S,11R,12E,14E)-3-methoxy-7,9,11,13,15-pentamethyl-16-oxo-10-trimethylsilyloxy-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]propanal is sourced from PubChem (CID 11049060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).