[(1R,2S,4S)-1-[(E)-but-2-enyl]-5,6,8-trimethoxy-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]oxy-tert-butyl-dimethylsilane

C25H42O4Si — CID 11327992

IUPAC[(1R,2S,4S)-1-[(E)-but-2-enyl]-5,6,8-trimethoxy-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]oxy-tert-butyl-dimethylsilane
SMILESC/C=C/C[C@@H]1c2c(OC)c(C)c(OC)c(OC)c2[C@@H](C)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H42O4Si/c1-12-13-14-18-19(29-30(10,11)25(4,5)6)15-16(2)20-21(18)22(26-7)17(3)23(27-8)24(20)28-9/h12-13,16,18-19H,14-15H2,1-11H3/b13-12+/t16-,18-,19-/m0/s1
InChIKeyKPZAKWRAWOYJGS-INBFNXEVSA-N
MW434.69 g/mol
LogP6.97
Rot. Bonds7

About [(1R,2S,4S)-1-[(E)-but-2-enyl]-5,6,8-trimethoxy-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]oxy-tert-butyl-dimethylsilane

[(1R,2S,4S)-1-[(E)-but-2-enyl]-5,6,8-trimethoxy-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11327992) has the molecular formula C25H42O4Si and a molecular weight of 434.69 g/mol. Its IUPAC name is [(1R,2S,4S)-1-[(E)-but-2-enyl]-5,6,8-trimethoxy-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R,2S,4S)-1-[(E)-but-2-enyl]-5,6,8-trimethoxy-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11327992
Molecular FormulaC25H42O4Si
Molecular Weight434.69 g/mol
Exact Mass434.29
IUPAC Name[(1R,2S,4S)-1-[(E)-but-2-enyl]-5,6,8-trimethoxy-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]oxy-tert-butyl-dimethylsilane
SMILESC/C=C/C[C@@H]1c2c(OC)c(C)c(OC)c(OC)c2[C@@H](C)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H42O4Si/c1-12-13-14-18-19(29-30(10,11)25(4,5)6)15-16(2)20-21(18)22(26-7)17(3)23(27-8)24(20)28-9/h12-13,16,18-19H,14-15H2,1-11H3/b13-12+/t16-,18-,19-/m0/s1
InChIKeyKPZAKWRAWOYJGS-INBFNXEVSA-N
XLogP6.97
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.69
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S,4S)-1-[(E)-but-2-enyl]-5,6,8-trimethoxy-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1R,2S,4S)-1-[(E)-but-2-enyl]-5,6,8-trimethoxy-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]oxy-tert-butyl-dimethylsilane (CID 11327992) is [(1R,2S,4S)-1-[(E)-but-2-enyl]-5,6,8-trimethoxy-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R,2S,4S)-1-[(E)-but-2-enyl]-5,6,8-trimethoxy-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R,2S,4S)-1-[(E)-but-2-enyl]-5,6,8-trimethoxy-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]oxy-tert-butyl-dimethylsilane is C/C=C/C[C@@H]1c2c(OC)c(C)c(OC)c(OC)c2[C@@H](C)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1R,2S,4S)-1-[(E)-but-2-enyl]-5,6,8-trimethoxy-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is KPZAKWRAWOYJGS-INBFNXEVSA-N. The full InChI is InChI=1S/C25H42O4Si/c1-12-13-14-18-19(29-30(10,11)25(4,5)6)15-16(2)20-21(18)22(26-7)17(3)23(27-8)24(20)28-9/h12-13,16,18-19H,14-15H2,1-11H3/b13-12+/t16-,18-,19-/m0/s1.
What are the key properties of [(1R,2S,4S)-1-[(E)-but-2-enyl]-5,6,8-trimethoxy-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]oxy-tert-butyl-dimethylsilane?
[(1R,2S,4S)-1-[(E)-but-2-enyl]-5,6,8-trimethoxy-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 434.69 g/mol, XLogP of 6.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,4S)-1-[(E)-but-2-enyl]-5,6,8-trimethoxy-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11327992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).