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

C27H44O6Si — CID 10885507

IUPAC(2R)-2-[(2R,3S,4E,6E,9S,10S,11R,12E,14E)-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-10-trimethylsilyloxy-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]propanal
SMILESCO/C1=C/C(C)=C/[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]([C@@H](C)C=O)OC1=O
InChIInChI=1S/C27H44O6Si/c1-18-12-11-13-23(30-6)26(22(5)17-28)32-27(29)24(31-7)16-19(2)15-21(4)25(20(3)14-18)33-34(8,9)10/h11-13,15-17,20-23,25-26H,14H2,1-10H3/b13-11+,18-12+,19-15+,24-16+/t20-,21+,22-,23-,25-,26+/m0/s1
InChIKeyWWPBFLADJBJRMT-LRHGHDCFSA-N
MW492.73 g/mol
LogP5.62
Rot. Bonds6

About (2R)-2-[(2R,3S,4E,6E,9S,10S,11R,12E,14E)-3,15-dimethoxy-7,9,11,13-tetramethyl-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)-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-10-trimethylsilyloxy-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]propanal (PubChem CID 10885507) has the molecular formula C27H44O6Si and a molecular weight of 492.73 g/mol. Its IUPAC name is (2R)-2-[(2R,3S,4E,6E,9S,10S,11R,12E,14E)-3,15-dimethoxy-7,9,11,13-tetramethyl-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)-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-10-trimethylsilyloxy-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]propanal
PubChem CID10885507
Molecular FormulaC27H44O6Si
Molecular Weight492.73 g/mol
Exact Mass492.29
IUPAC Name(2R)-2-[(2R,3S,4E,6E,9S,10S,11R,12E,14E)-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-10-trimethylsilyloxy-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]propanal
SMILESCO/C1=C/C(C)=C/[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]([C@@H](C)C=O)OC1=O
InChIInChI=1S/C27H44O6Si/c1-18-12-11-13-23(30-6)26(22(5)17-28)32-27(29)24(31-7)16-19(2)15-21(4)25(20(3)14-18)33-34(8,9)10/h11-13,15-17,20-23,25-26H,14H2,1-10H3/b13-11+,18-12+,19-15+,24-16+/t20-,21+,22-,23-,25-,26+/m0/s1
InChIKeyWWPBFLADJBJRMT-LRHGHDCFSA-N
XLogP5.62
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.73
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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)-3,15-dimethoxy-7,9,11,13-tetramethyl-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

Related Compounds

(2S)-2-[(2R,3S,4E,6E,9S,10S,11R,12E,14Z)-10-[diethyl(propan-2-yl)silyl]oxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]propanal
CID 135837626
(2R)-2-[(2R,3S,4E,6E,9R,10S,11S,12R,13R,14E,16Z)-10,12-bis[[diethyl(propan-2-yl)silyl]oxy]-11-ethyl-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]propanal
CID 10930672
(3Z,5E,7R,8S,9S,11Z,16R)-8-[diethyl(propan-2-yl)silyl]oxy-16-[(2S)-1-hydroxypropan-2-yl]-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
CID 177403318
(7R,8S,9S,15S,16R)-8-hydroxy-3,15-dimethoxy-16-[(E,2S)-4-[(2R,3S,4S)-4-methoxy-3-methyl-2-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]pent-3-en-2-yl]-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
CID 139588304
(3Z,5E,7R,8S,9S,11Z,16R)-16-[(2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-yl]-8-[diethyl(propan-2-yl)silyl]oxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
CID 177396376
(3Z,5E,7R,8S,9S,11E,13E,15S,16R)-8-hydroxy-16-[(2S,3S,4S)-3-hydroxy-4-[(2R,4R,5S,6R)-4-hydroxy-5-methyl-6-propan-2-yloxan-2-yl]pentan-2-yl]-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
CID 164538205
(3E,5Z,7R,8S,9S,11E,13E,15S,16S)-16-[(E,2R,3R,4S,9R)-3,9-dihydroxy-4,8,10-trimethyl-5-oxoundec-7-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
CID 163046398
(3Z,5Z,7R,9S,11Z,13E,15S,16R)-16-[(2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
CID 177391015
(3E,5Z,7S,8R,9R,11Z,13E,15S,16S)-16-[(E,2R,3S,4R,8R,9S)-3,9-dihydroxy-4,8-dimethyl-5-oxoundec-6-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
CID 163055421
(3Z,5E,7R,8S,9S,11E,13E,15S,16S)-16-[(2S,3R,4S)-4-[(2R,4R,5S,6R)-2,4-dihydroxy-5-methyl-6-propan-2-yloxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
CID 59866780
(3E,5E,7R,8S,9S,11Z,13E,15S,16R)-16-[(2S,3R,4S)-4-[(2R,4R,5S,6R)-2,4-dihydroxy-5-methyl-6-propan-2-yloxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
CID 162981176
(3Z,5E,7R,8S,9R,11Z,15S,16R)-16-[(2S,3R,4S)-4-[(2R,4R,5S,6R)-2,4-dihydroxy-5-methyl-6-propan-2-yloxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
CID 71308159

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,3S,4E,6E,9S,10S,11R,12E,14E)-3,15-dimethoxy-7,9,11,13-tetramethyl-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)-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-10-trimethylsilyloxy-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]propanal (CID 10885507) is (2R)-2-[(2R,3S,4E,6E,9S,10S,11R,12E,14E)-3,15-dimethoxy-7,9,11,13-tetramethyl-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)-3,15-dimethoxy-7,9,11,13-tetramethyl-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)-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-10-trimethylsilyloxy-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]propanal is CO/C1=C/C(C)=C/[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]([C@@H](C)C=O)OC1=O.
What is the InChIKey of (2R)-2-[(2R,3S,4E,6E,9S,10S,11R,12E,14E)-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-10-trimethylsilyloxy-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]propanal?
The InChIKey is WWPBFLADJBJRMT-LRHGHDCFSA-N. The full InChI is InChI=1S/C27H44O6Si/c1-18-12-11-13-23(30-6)26(22(5)17-28)32-27(29)24(31-7)16-19(2)15-21(4)25(20(3)14-18)33-34(8,9)10/h11-13,15-17,20-23,25-26H,14H2,1-10H3/b13-11+,18-12+,19-15+,24-16+/t20-,21+,22-,23-,25-,26+/m0/s1.
What are the key properties of (2R)-2-[(2R,3S,4E,6E,9S,10S,11R,12E,14E)-3,15-dimethoxy-7,9,11,13-tetramethyl-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)-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-10-trimethylsilyloxy-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]propanal has a molecular weight of 492.73 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R,3S,4E,6E,9S,10S,11R,12E,14E)-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-10-trimethylsilyloxy-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]propanal is sourced from PubChem (CID 10885507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).