[(3S,4S,6R,7E,9E)-4-(methoxymethoxy)-6,8-dimethyldodeca-1,7,9-trien-3-yl]oxy-tri(propan-2-yl)silane

C25H48O3Si — CID 11669046

IUPAC[(3S,4S,6R,7E,9E)-4-(methoxymethoxy)-6,8-dimethyldodeca-1,7,9-trien-3-yl]oxy-tri(propan-2-yl)silane
SMILESC=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C[C@@H](C)/C=C(C)/C=C/CC)OCOC
InChIInChI=1S/C25H48O3Si/c1-12-14-15-22(9)16-23(10)17-25(27-18-26-11)24(13-2)28-29(19(3)4,20(5)6)21(7)8/h13-16,19-21,23-25H,2,12,17-18H2,1,3-11H3/b15-14+,22-16+/t23-,24-,25-/m0/s1
InChIKeyBDOVDNCDXGWHOR-DCYKKOKOSA-N
MW424.74 g/mol
LogP7.66
Rot. Bonds15

About [(3S,4S,6R,7E,9E)-4-(methoxymethoxy)-6,8-dimethyldodeca-1,7,9-trien-3-yl]oxy-tri(propan-2-yl)silane

[(3S,4S,6R,7E,9E)-4-(methoxymethoxy)-6,8-dimethyldodeca-1,7,9-trien-3-yl]oxy-tri(propan-2-yl)silane (PubChem CID 11669046) has the molecular formula C25H48O3Si and a molecular weight of 424.74 g/mol. Its IUPAC name is [(3S,4S,6R,7E,9E)-4-(methoxymethoxy)-6,8-dimethyldodeca-1,7,9-trien-3-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3S,4S,6R,7E,9E)-4-(methoxymethoxy)-6,8-dimethyldodeca-1,7,9-trien-3-yl]oxy-tri(propan-2-yl)silane
PubChem CID11669046
Molecular FormulaC25H48O3Si
Molecular Weight424.74 g/mol
Exact Mass424.34
IUPAC Name[(3S,4S,6R,7E,9E)-4-(methoxymethoxy)-6,8-dimethyldodeca-1,7,9-trien-3-yl]oxy-tri(propan-2-yl)silane
SMILESC=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C[C@@H](C)/C=C(C)/C=C/CC)OCOC
InChIInChI=1S/C25H48O3Si/c1-12-14-15-22(9)16-23(10)17-25(27-18-26-11)24(13-2)28-29(19(3)4,20(5)6)21(7)8/h13-16,19-21,23-25H,2,12,17-18H2,1,3-11H3/b15-14+,22-16+/t23-,24-,25-/m0/s1
InChIKeyBDOVDNCDXGWHOR-DCYKKOKOSA-N
XLogP7.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.74
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [(3S,4S,6R,7E,9E)-4-(methoxymethoxy)-6,8-dimethyldodeca-1,7,9-trien-3-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(3S,4S,6R,7E,9E)-4-(methoxymethoxy)-6,8-dimethyldodeca-1,7,9-trien-3-yl]oxy-tri(propan-2-yl)silane (CID 11669046) is [(3S,4S,6R,7E,9E)-4-(methoxymethoxy)-6,8-dimethyldodeca-1,7,9-trien-3-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(3S,4S,6R,7E,9E)-4-(methoxymethoxy)-6,8-dimethyldodeca-1,7,9-trien-3-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(3S,4S,6R,7E,9E)-4-(methoxymethoxy)-6,8-dimethyldodeca-1,7,9-trien-3-yl]oxy-tri(propan-2-yl)silane is C=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C[C@@H](C)/C=C(C)/C=C/CC)OCOC.
What is the InChIKey of [(3S,4S,6R,7E,9E)-4-(methoxymethoxy)-6,8-dimethyldodeca-1,7,9-trien-3-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is BDOVDNCDXGWHOR-DCYKKOKOSA-N. The full InChI is InChI=1S/C25H48O3Si/c1-12-14-15-22(9)16-23(10)17-25(27-18-26-11)24(13-2)28-29(19(3)4,20(5)6)21(7)8/h13-16,19-21,23-25H,2,12,17-18H2,1,3-11H3/b15-14+,22-16+/t23-,24-,25-/m0/s1.
What are the key properties of [(3S,4S,6R,7E,9E)-4-(methoxymethoxy)-6,8-dimethyldodeca-1,7,9-trien-3-yl]oxy-tri(propan-2-yl)silane?
[(3S,4S,6R,7E,9E)-4-(methoxymethoxy)-6,8-dimethyldodeca-1,7,9-trien-3-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 424.74 g/mol, XLogP of 7.66, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S,6R,7E,9E)-4-(methoxymethoxy)-6,8-dimethyldodeca-1,7,9-trien-3-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11669046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).