[(1R,3aR,4S,7aR)-1-[(E,2R,5S)-5-[2-(methoxymethoxy)propan-2-yl]non-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane

C30H58O3Si — CID 10601285

IUPAC[(1R,3aR,4S,7aR)-1-[(E,2R,5S)-5-[2-(methoxymethoxy)propan-2-yl]non-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
SMILESCCCC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]12C)C(C)(C)OCOC
InChIInChI=1S/C30H58O3Si/c1-12-13-15-24(29(6,7)32-22-31-9)18-17-23(2)25-19-20-26-27(16-14-21-30(25,26)8)33-34(10,11)28(3,4)5/h17-18,23-27H,12-16,19-22H2,1-11H3/b18-17+/t23-,24+,25-,26+,27+,30-/m1/s1
InChIKeyFFNYXTNTBIWUAE-SUWFVITPSA-N
MW494.88 g/mol
LogP8.99
Rot. Bonds12

About [(1R,3aR,4S,7aR)-1-[(E,2R,5S)-5-[2-(methoxymethoxy)propan-2-yl]non-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane

[(1R,3aR,4S,7aR)-1-[(E,2R,5S)-5-[2-(methoxymethoxy)propan-2-yl]non-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10601285) has the molecular formula C30H58O3Si and a molecular weight of 494.88 g/mol. Its IUPAC name is [(1R,3aR,4S,7aR)-1-[(E,2R,5S)-5-[2-(methoxymethoxy)propan-2-yl]non-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R,3aR,4S,7aR)-1-[(E,2R,5S)-5-[2-(methoxymethoxy)propan-2-yl]non-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
PubChem CID10601285
Molecular FormulaC30H58O3Si
Molecular Weight494.88 g/mol
Exact Mass494.42
IUPAC Name[(1R,3aR,4S,7aR)-1-[(E,2R,5S)-5-[2-(methoxymethoxy)propan-2-yl]non-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
SMILESCCCC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]12C)C(C)(C)OCOC
InChIInChI=1S/C30H58O3Si/c1-12-13-15-24(29(6,7)32-22-31-9)18-17-23(2)25-19-20-26-27(16-14-21-30(25,26)8)33-34(10,11)28(3,4)5/h17-18,23-27H,12-16,19-22H2,1-11H3/b18-17+/t23-,24+,25-,26+,27+,30-/m1/s1
InChIKeyFFNYXTNTBIWUAE-SUWFVITPSA-N
XLogP8.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.88
LogP ≤ 58.99
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'}

Analyze [(1R,3aR,4S,7aR)-1-[(E,2R,5S)-5-[2-(methoxymethoxy)propan-2-yl]non-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane with MolForge

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Related Compounds

[(E,2S,3S)-2-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-6-(methoxymethoxy)-6-methylhept-4-en-3-yl] diethyl phosphate
CID 10793547
(1R,3aR,4S,7aR)-1-[(E,2S)-6-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
CID 58221243
[(1R,3aR,4S,7aR)-1-[(E,2R,5S)-6-(methoxymethoxy)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
CID 10623534
[(1R,3aR,4S,7aR)-1-[(E,2R,5S)-5-cyclopropyl-6-(methoxymethoxy)-6-methylhept-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
CID 10648352
[(1R,3aR,4S,7aR)-1-[(E,2R,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-6-(methoxymethoxy)-6-methylhept-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
CID 10768757
[(2S)-2-[(1R,2S,3S,6R,7R,10R,11R,13E)-2,11-bis(methoxymethoxy)-6,15-dimethyl-7-tetracyclo[12.3.1.03,11.06,10]octadeca-13,15-dienyl]propoxy]-tert-butyl-dimethylsilane
CID 102323259
(Z)-6-[(3aS,7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]-2-methylhex-5-en-2-ol
CID 134931506
[(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-(methoxymethoxy)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-methyl-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
CID 134971903
(Z)-7-[(3aS,7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]-2-methylhept-6-en-2-ol
CID 11749341
(E,2S,3R)-2-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-6-(methoxymethoxy)-6-methylhept-4-en-3-ol
CID 11798010
1R-(5-Methoxymethoxy-1R,4S,5-trimethyl-hex-2-enyl)-7R-methyl-octahydro-inden-4S-ol
CID 133655743
(E,3R,6R)-6-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2,3-dimethylhept-4-en-2-ol
CID 15138758

Frequently Asked Questions

What is the IUPAC name of [(1R,3aR,4S,7aR)-1-[(E,2R,5S)-5-[2-(methoxymethoxy)propan-2-yl]non-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1R,3aR,4S,7aR)-1-[(E,2R,5S)-5-[2-(methoxymethoxy)propan-2-yl]non-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane (CID 10601285) is [(1R,3aR,4S,7aR)-1-[(E,2R,5S)-5-[2-(methoxymethoxy)propan-2-yl]non-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R,3aR,4S,7aR)-1-[(E,2R,5S)-5-[2-(methoxymethoxy)propan-2-yl]non-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R,3aR,4S,7aR)-1-[(E,2R,5S)-5-[2-(methoxymethoxy)propan-2-yl]non-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane is CCCC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]12C)C(C)(C)OCOC.
What is the InChIKey of [(1R,3aR,4S,7aR)-1-[(E,2R,5S)-5-[2-(methoxymethoxy)propan-2-yl]non-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is FFNYXTNTBIWUAE-SUWFVITPSA-N. The full InChI is InChI=1S/C30H58O3Si/c1-12-13-15-24(29(6,7)32-22-31-9)18-17-23(2)25-19-20-26-27(16-14-21-30(25,26)8)33-34(10,11)28(3,4)5/h17-18,23-27H,12-16,19-22H2,1-11H3/b18-17+/t23-,24+,25-,26+,27+,30-/m1/s1.
What are the key properties of [(1R,3aR,4S,7aR)-1-[(E,2R,5S)-5-[2-(methoxymethoxy)propan-2-yl]non-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?
[(1R,3aR,4S,7aR)-1-[(E,2R,5S)-5-[2-(methoxymethoxy)propan-2-yl]non-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 494.88 g/mol, XLogP of 8.99, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3aR,4S,7aR)-1-[(E,2R,5S)-5-[2-(methoxymethoxy)propan-2-yl]non-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10601285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).