(2Z,6R,7R,8E,10Z)-6-(methoxymethoxy)-3,7-dimethyl-12-tri(propan-2-yl)silyloxydodeca-2,8,10-trien-1-ol

C25H48O4Si — CID 23242992

IUPAC(2Z,6R,7R,8E,10Z)-6-(methoxymethoxy)-3,7-dimethyl-12-tri(propan-2-yl)silyloxydodeca-2,8,10-trien-1-ol
SMILESCOCO[C@H](CC/C(C)=C\CO)[C@H](C)/C=C/C=C\CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C25H48O4Si/c1-20(2)30(21(3)4,22(5)6)29-18-12-10-11-13-24(8)25(28-19-27-9)15-14-23(7)16-17-26/h10-13,16,20-22,24-26H,14-15,17-19H2,1-9H3/b12-10-,13-11+,23-16-/t24-,25-/m1/s1
InChIKeyWQDSJVMKXFFPCH-OVQHZSTHSA-N
MW440.74 g/mol
LogP6.63
Rot. Bonds16

About (2Z,6R,7R,8E,10Z)-6-(methoxymethoxy)-3,7-dimethyl-12-tri(propan-2-yl)silyloxydodeca-2,8,10-trien-1-ol

(2Z,6R,7R,8E,10Z)-6-(methoxymethoxy)-3,7-dimethyl-12-tri(propan-2-yl)silyloxydodeca-2,8,10-trien-1-ol (PubChem CID 23242992) has the molecular formula C25H48O4Si and a molecular weight of 440.74 g/mol. Its IUPAC name is (2Z,6R,7R,8E,10Z)-6-(methoxymethoxy)-3,7-dimethyl-12-tri(propan-2-yl)silyloxydodeca-2,8,10-trien-1-ol.

Molecular Properties

Compound Name(2Z,6R,7R,8E,10Z)-6-(methoxymethoxy)-3,7-dimethyl-12-tri(propan-2-yl)silyloxydodeca-2,8,10-trien-1-ol
PubChem CID23242992
Molecular FormulaC25H48O4Si
Molecular Weight440.74 g/mol
Exact Mass440.33
IUPAC Name(2Z,6R,7R,8E,10Z)-6-(methoxymethoxy)-3,7-dimethyl-12-tri(propan-2-yl)silyloxydodeca-2,8,10-trien-1-ol
SMILESCOCO[C@H](CC/C(C)=C\CO)[C@H](C)/C=C/C=C\CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C25H48O4Si/c1-20(2)30(21(3)4,22(5)6)29-18-12-10-11-13-24(8)25(28-19-27-9)15-14-23(7)16-17-26/h10-13,16,20-22,24-26H,14-15,17-19H2,1-9H3/b12-10-,13-11+,23-16-/t24-,25-/m1/s1
InChIKeyWQDSJVMKXFFPCH-OVQHZSTHSA-N
XLogP6.63
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.74
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,6R,7R,8E,10Z)-6-(methoxymethoxy)-3,7-dimethyl-12-tri(propan-2-yl)silyloxydodeca-2,8,10-trien-1-ol?
The IUPAC name of (2Z,6R,7R,8E,10Z)-6-(methoxymethoxy)-3,7-dimethyl-12-tri(propan-2-yl)silyloxydodeca-2,8,10-trien-1-ol (CID 23242992) is (2Z,6R,7R,8E,10Z)-6-(methoxymethoxy)-3,7-dimethyl-12-tri(propan-2-yl)silyloxydodeca-2,8,10-trien-1-ol.
What is the SMILES notation for (2Z,6R,7R,8E,10Z)-6-(methoxymethoxy)-3,7-dimethyl-12-tri(propan-2-yl)silyloxydodeca-2,8,10-trien-1-ol?
The canonical SMILES for (2Z,6R,7R,8E,10Z)-6-(methoxymethoxy)-3,7-dimethyl-12-tri(propan-2-yl)silyloxydodeca-2,8,10-trien-1-ol is COCO[C@H](CC/C(C)=C\CO)[C@H](C)/C=C/C=C\CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2Z,6R,7R,8E,10Z)-6-(methoxymethoxy)-3,7-dimethyl-12-tri(propan-2-yl)silyloxydodeca-2,8,10-trien-1-ol?
The InChIKey is WQDSJVMKXFFPCH-OVQHZSTHSA-N. The full InChI is InChI=1S/C25H48O4Si/c1-20(2)30(21(3)4,22(5)6)29-18-12-10-11-13-24(8)25(28-19-27-9)15-14-23(7)16-17-26/h10-13,16,20-22,24-26H,14-15,17-19H2,1-9H3/b12-10-,13-11+,23-16-/t24-,25-/m1/s1.
What are the key properties of (2Z,6R,7R,8E,10Z)-6-(methoxymethoxy)-3,7-dimethyl-12-tri(propan-2-yl)silyloxydodeca-2,8,10-trien-1-ol?
(2Z,6R,7R,8E,10Z)-6-(methoxymethoxy)-3,7-dimethyl-12-tri(propan-2-yl)silyloxydodeca-2,8,10-trien-1-ol has a molecular weight of 440.74 g/mol, XLogP of 6.63, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6R,7R,8E,10Z)-6-(methoxymethoxy)-3,7-dimethyl-12-tri(propan-2-yl)silyloxydodeca-2,8,10-trien-1-ol is sourced from PubChem (CID 23242992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).