[(2Z,4E,6R,7R,10Z)-13-chloro-7-(methoxymethoxy)-12-(2-methoxypropan-2-yloxy)-6,10-dimethyltrideca-2,4,10-trienoxy]-tri(propan-2-yl)silane

C30H57ClO5Si — CID 23242995

IUPAC[(2Z,4E,6R,7R,10Z)-13-chloro-7-(methoxymethoxy)-12-(2-methoxypropan-2-yloxy)-6,10-dimethyltrideca-2,4,10-trienoxy]-tri(propan-2-yl)silane
SMILESCOCO[C@H](CC/C(C)=C\C(CCl)OC(C)(C)OC)[C@H](C)/C=C/C=C\CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C30H57ClO5Si/c1-23(2)37(24(3)4,25(5)6)35-19-15-13-14-16-27(8)29(34-22-32-11)18-17-26(7)20-28(21-31)36-30(9,10)33-12/h13-16,20,23-25,27-29H,17-19,21-22H2,1-12H3/b15-13-,16-14+,26-20-/t27-,28?,29-/m1/s1
InChIKeyMJKPVQSLGOZKRN-WEQJLBQISA-N
MW561.32 g/mol
LogP8.65
Rot. Bonds20

About [(2Z,4E,6R,7R,10Z)-13-chloro-7-(methoxymethoxy)-12-(2-methoxypropan-2-yloxy)-6,10-dimethyltrideca-2,4,10-trienoxy]-tri(propan-2-yl)silane

[(2Z,4E,6R,7R,10Z)-13-chloro-7-(methoxymethoxy)-12-(2-methoxypropan-2-yloxy)-6,10-dimethyltrideca-2,4,10-trienoxy]-tri(propan-2-yl)silane (PubChem CID 23242995) has the molecular formula C30H57ClO5Si and a molecular weight of 561.32 g/mol. Its IUPAC name is [(2Z,4E,6R,7R,10Z)-13-chloro-7-(methoxymethoxy)-12-(2-methoxypropan-2-yloxy)-6,10-dimethyltrideca-2,4,10-trienoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2Z,4E,6R,7R,10Z)-13-chloro-7-(methoxymethoxy)-12-(2-methoxypropan-2-yloxy)-6,10-dimethyltrideca-2,4,10-trienoxy]-tri(propan-2-yl)silane
PubChem CID23242995
Molecular FormulaC30H57ClO5Si
Molecular Weight561.32 g/mol
Exact Mass560.37
IUPAC Name[(2Z,4E,6R,7R,10Z)-13-chloro-7-(methoxymethoxy)-12-(2-methoxypropan-2-yloxy)-6,10-dimethyltrideca-2,4,10-trienoxy]-tri(propan-2-yl)silane
SMILESCOCO[C@H](CC/C(C)=C\C(CCl)OC(C)(C)OC)[C@H](C)/C=C/C=C\CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C30H57ClO5Si/c1-23(2)37(24(3)4,25(5)6)35-19-15-13-14-16-27(8)29(34-22-32-11)18-17-26(7)20-28(21-31)36-30(9,10)33-12/h13-16,20,23-25,27-29H,17-19,21-22H2,1-12H3/b15-13-,16-14+,26-20-/t27-,28?,29-/m1/s1
InChIKeyMJKPVQSLGOZKRN-WEQJLBQISA-N
XLogP8.65
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.32
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2Z,4E,6R,7R,10Z)-13-chloro-7-(methoxymethoxy)-12-(2-methoxypropan-2-yloxy)-6,10-dimethyltrideca-2,4,10-trienoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(2Z,4E,6R,7R,10Z)-13-chloro-7-(methoxymethoxy)-12-(2-methoxypropan-2-yloxy)-6,10-dimethyltrideca-2,4,10-trienoxy]-tri(propan-2-yl)silane (CID 23242995) is [(2Z,4E,6R,7R,10Z)-13-chloro-7-(methoxymethoxy)-12-(2-methoxypropan-2-yloxy)-6,10-dimethyltrideca-2,4,10-trienoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(2Z,4E,6R,7R,10Z)-13-chloro-7-(methoxymethoxy)-12-(2-methoxypropan-2-yloxy)-6,10-dimethyltrideca-2,4,10-trienoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(2Z,4E,6R,7R,10Z)-13-chloro-7-(methoxymethoxy)-12-(2-methoxypropan-2-yloxy)-6,10-dimethyltrideca-2,4,10-trienoxy]-tri(propan-2-yl)silane is COCO[C@H](CC/C(C)=C\C(CCl)OC(C)(C)OC)[C@H](C)/C=C/C=C\CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(2Z,4E,6R,7R,10Z)-13-chloro-7-(methoxymethoxy)-12-(2-methoxypropan-2-yloxy)-6,10-dimethyltrideca-2,4,10-trienoxy]-tri(propan-2-yl)silane?
The InChIKey is MJKPVQSLGOZKRN-WEQJLBQISA-N. The full InChI is InChI=1S/C30H57ClO5Si/c1-23(2)37(24(3)4,25(5)6)35-19-15-13-14-16-27(8)29(34-22-32-11)18-17-26(7)20-28(21-31)36-30(9,10)33-12/h13-16,20,23-25,27-29H,17-19,21-22H2,1-12H3/b15-13-,16-14+,26-20-/t27-,28?,29-/m1/s1.
What are the key properties of [(2Z,4E,6R,7R,10Z)-13-chloro-7-(methoxymethoxy)-12-(2-methoxypropan-2-yloxy)-6,10-dimethyltrideca-2,4,10-trienoxy]-tri(propan-2-yl)silane?
[(2Z,4E,6R,7R,10Z)-13-chloro-7-(methoxymethoxy)-12-(2-methoxypropan-2-yloxy)-6,10-dimethyltrideca-2,4,10-trienoxy]-tri(propan-2-yl)silane has a molecular weight of 561.32 g/mol, XLogP of 8.65, 20 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,4E,6R,7R,10Z)-13-chloro-7-(methoxymethoxy)-12-(2-methoxypropan-2-yloxy)-6,10-dimethyltrideca-2,4,10-trienoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 23242995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).