(4S,7R,8S,9S,13Z,16S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-16-ethenyl-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-13-ene-2,6-dione

C34H64O5Si2 — CID 134956993

IUPAC(4S,7R,8S,9S,13Z,16S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-16-ethenyl-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-13-ene-2,6-dione
SMILESC=C[C@@H]1C/C=C(/C)CCC[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)C(C)(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O1
InChIInChI=1S/C34H64O5Si2/c1-17-27-22-21-24(2)19-18-20-25(3)30(39-41(15,16)33(8,9)10)26(4)31(36)34(11,12)28(23-29(35)37-27)38-40(13,14)32(5,6)7/h17,21,25-28,30H,1,18-20,22-23H2,2-16H3/b24-21-/t25-,26+,27+,28-,30-/m0/s1
InChIKeyHSHZIULXIPVIQF-SNJZPMTFSA-N
MW609.05 g/mol
LogP9.64
Rot. Bonds5

About (4S,7R,8S,9S,13Z,16S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-16-ethenyl-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-13-ene-2,6-dione

(4S,7R,8S,9S,13Z,16S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-16-ethenyl-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-13-ene-2,6-dione (PubChem CID 134956993) has the molecular formula C34H64O5Si2 and a molecular weight of 609.05 g/mol. Its IUPAC name is (4S,7R,8S,9S,13Z,16S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-16-ethenyl-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-13-ene-2,6-dione.

Molecular Properties

Compound Name(4S,7R,8S,9S,13Z,16S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-16-ethenyl-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-13-ene-2,6-dione
PubChem CID134956993
Molecular FormulaC34H64O5Si2
Molecular Weight609.05 g/mol
Exact Mass608.43
IUPAC Name(4S,7R,8S,9S,13Z,16S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-16-ethenyl-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-13-ene-2,6-dione
SMILESC=C[C@@H]1C/C=C(/C)CCC[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)C(C)(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O1
InChIInChI=1S/C34H64O5Si2/c1-17-27-22-21-24(2)19-18-20-25(3)30(39-41(15,16)33(8,9)10)26(4)31(36)34(11,12)28(23-29(35)37-27)38-40(13,14)32(5,6)7/h17,21,25-28,30H,1,18-20,22-23H2,2-16H3/b24-21-/t25-,26+,27+,28-,30-/m0/s1
InChIKeyHSHZIULXIPVIQF-SNJZPMTFSA-N
XLogP9.64
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.05
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4S,7R,8S,9S,13Z,16S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-16-ethenyl-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-13-ene-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S,7R,8S,9S,13Z,16S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-16-ethenyl-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-13-ene-2,6-dione?
The IUPAC name of (4S,7R,8S,9S,13Z,16S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-16-ethenyl-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-13-ene-2,6-dione (CID 134956993) is (4S,7R,8S,9S,13Z,16S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-16-ethenyl-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-13-ene-2,6-dione.
What is the SMILES notation for (4S,7R,8S,9S,13Z,16S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-16-ethenyl-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-13-ene-2,6-dione?
The canonical SMILES for (4S,7R,8S,9S,13Z,16S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-16-ethenyl-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-13-ene-2,6-dione is C=C[C@@H]1C/C=C(/C)CCC[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)C(C)(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O1.
What is the InChIKey of (4S,7R,8S,9S,13Z,16S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-16-ethenyl-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-13-ene-2,6-dione?
The InChIKey is HSHZIULXIPVIQF-SNJZPMTFSA-N. The full InChI is InChI=1S/C34H64O5Si2/c1-17-27-22-21-24(2)19-18-20-25(3)30(39-41(15,16)33(8,9)10)26(4)31(36)34(11,12)28(23-29(35)37-27)38-40(13,14)32(5,6)7/h17,21,25-28,30H,1,18-20,22-23H2,2-16H3/b24-21-/t25-,26+,27+,28-,30-/m0/s1.
What are the key properties of (4S,7R,8S,9S,13Z,16S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-16-ethenyl-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-13-ene-2,6-dione?
(4S,7R,8S,9S,13Z,16S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-16-ethenyl-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-13-ene-2,6-dione has a molecular weight of 609.05 g/mol, XLogP of 9.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,7R,8S,9S,13Z,16S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-16-ethenyl-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-13-ene-2,6-dione is sourced from PubChem (CID 134956993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).