(6Z,12R)-4-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-12-methyl-1-oxacyclododec-6-en-2-one

C20H38O5Si — CID 177499032

IUPAC(6Z,12R)-4-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-12-methyl-1-oxacyclododec-6-en-2-one
SMILESCOCOC1/C=C\CC(O[Si](C)(C)C(C)(C)C)CC(=O)O[C@H](C)CCC1
InChIInChI=1S/C20H38O5Si/c1-16-10-8-11-17(23-15-22-5)12-9-13-18(14-19(21)24-16)25-26(6,7)20(2,3)4/h9,12,16-18H,8,10-11,13-15H2,1-7H3/b12-9-/t16-,17?,18?/m1/s1
InChIKeySWOSBRXCNUTMDD-AWHAUMAOSA-N
MW386.61 g/mol
LogP4.82
Rot. Bonds5

About (6Z,12R)-4-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-12-methyl-1-oxacyclododec-6-en-2-one

(6Z,12R)-4-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-12-methyl-1-oxacyclododec-6-en-2-one (PubChem CID 177499032) has the molecular formula C20H38O5Si and a molecular weight of 386.61 g/mol. Its IUPAC name is (6Z,12R)-4-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-12-methyl-1-oxacyclododec-6-en-2-one.

Molecular Properties

Compound Name(6Z,12R)-4-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-12-methyl-1-oxacyclododec-6-en-2-one
PubChem CID177499032
Molecular FormulaC20H38O5Si
Molecular Weight386.61 g/mol
Exact Mass386.25
IUPAC Name(6Z,12R)-4-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-12-methyl-1-oxacyclododec-6-en-2-one
SMILESCOCOC1/C=C\CC(O[Si](C)(C)C(C)(C)C)CC(=O)O[C@H](C)CCC1
InChIInChI=1S/C20H38O5Si/c1-16-10-8-11-17(23-15-22-5)12-9-13-18(14-19(21)24-16)25-26(6,7)20(2,3)4/h9,12,16-18H,8,10-11,13-15H2,1-7H3/b12-9-/t16-,17?,18?/m1/s1
InChIKeySWOSBRXCNUTMDD-AWHAUMAOSA-N
XLogP4.82
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.61
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6Z,12R)-4-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-12-methyl-1-oxacyclododec-6-en-2-one?
The IUPAC name of (6Z,12R)-4-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-12-methyl-1-oxacyclododec-6-en-2-one (CID 177499032) is (6Z,12R)-4-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-12-methyl-1-oxacyclododec-6-en-2-one.
What is the SMILES notation for (6Z,12R)-4-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-12-methyl-1-oxacyclododec-6-en-2-one?
The canonical SMILES for (6Z,12R)-4-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-12-methyl-1-oxacyclododec-6-en-2-one is COCOC1/C=C\CC(O[Si](C)(C)C(C)(C)C)CC(=O)O[C@H](C)CCC1.
What is the InChIKey of (6Z,12R)-4-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-12-methyl-1-oxacyclododec-6-en-2-one?
The InChIKey is SWOSBRXCNUTMDD-AWHAUMAOSA-N. The full InChI is InChI=1S/C20H38O5Si/c1-16-10-8-11-17(23-15-22-5)12-9-13-18(14-19(21)24-16)25-26(6,7)20(2,3)4/h9,12,16-18H,8,10-11,13-15H2,1-7H3/b12-9-/t16-,17?,18?/m1/s1.
What are the key properties of (6Z,12R)-4-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-12-methyl-1-oxacyclododec-6-en-2-one?
(6Z,12R)-4-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-12-methyl-1-oxacyclododec-6-en-2-one has a molecular weight of 386.61 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,12R)-4-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-12-methyl-1-oxacyclododec-6-en-2-one is sourced from PubChem (CID 177499032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).