[(3S,3aS,8S,9aS,9bS)-3a,7-dimethyl-8-propyl-1,2,3,4,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-3-yl]oxy-tert-butyl-dimethylsilane

C24H42OSi — CID 58379445

IUPAC[(3S,3aS,8S,9aS,9bS)-3a,7-dimethyl-8-propyl-1,2,3,4,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCCC[C@H]1C[C@@H]2C(=CC[C@]3(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@H]23)C=C1C
InChIInChI=1S/C24H42OSi/c1-9-10-18-16-20-19(15-17(18)2)13-14-24(6)21(20)11-12-22(24)25-26(7,8)23(3,4)5/h13,15,18,20-22H,9-12,14,16H2,1-8H3/t18-,20+,21-,22-,24-/m0/s1
InChIKeyQARQMMCEZZRNLS-SODJYPQISA-N
MW374.69 g/mol
LogP7.51
Rot. Bonds4

About [(3S,3aS,8S,9aS,9bS)-3a,7-dimethyl-8-propyl-1,2,3,4,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-3-yl]oxy-tert-butyl-dimethylsilane

[(3S,3aS,8S,9aS,9bS)-3a,7-dimethyl-8-propyl-1,2,3,4,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 58379445) has the molecular formula C24H42OSi and a molecular weight of 374.69 g/mol. Its IUPAC name is [(3S,3aS,8S,9aS,9bS)-3a,7-dimethyl-8-propyl-1,2,3,4,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3S,3aS,8S,9aS,9bS)-3a,7-dimethyl-8-propyl-1,2,3,4,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID58379445
Molecular FormulaC24H42OSi
Molecular Weight374.69 g/mol
Exact Mass374.30
IUPAC Name[(3S,3aS,8S,9aS,9bS)-3a,7-dimethyl-8-propyl-1,2,3,4,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCCC[C@H]1C[C@@H]2C(=CC[C@]3(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@H]23)C=C1C
InChIInChI=1S/C24H42OSi/c1-9-10-18-16-20-19(15-17(18)2)13-14-24(6)21(20)11-12-22(24)25-26(7,8)23(3,4)5/h13,15,18,20-22H,9-12,14,16H2,1-8H3/t18-,20+,21-,22-,24-/m0/s1
InChIKeyQARQMMCEZZRNLS-SODJYPQISA-N
XLogP7.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.69
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(3S,3aS,8S,9aS,9bS)-3a,7-dimethyl-8-propyl-1,2,3,4,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-3-yl]oxy-tert-butyl-dimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3S,3aS,8S,9aS,9bS)-3a,7-dimethyl-8-propyl-1,2,3,4,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3S,3aS,8S,9aS,9bS)-3a,7-dimethyl-8-propyl-1,2,3,4,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-3-yl]oxy-tert-butyl-dimethylsilane (CID 58379445) is [(3S,3aS,8S,9aS,9bS)-3a,7-dimethyl-8-propyl-1,2,3,4,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3S,3aS,8S,9aS,9bS)-3a,7-dimethyl-8-propyl-1,2,3,4,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3S,3aS,8S,9aS,9bS)-3a,7-dimethyl-8-propyl-1,2,3,4,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-3-yl]oxy-tert-butyl-dimethylsilane is CCC[C@H]1C[C@@H]2C(=CC[C@]3(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@H]23)C=C1C.
What is the InChIKey of [(3S,3aS,8S,9aS,9bS)-3a,7-dimethyl-8-propyl-1,2,3,4,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is QARQMMCEZZRNLS-SODJYPQISA-N. The full InChI is InChI=1S/C24H42OSi/c1-9-10-18-16-20-19(15-17(18)2)13-14-24(6)21(20)11-12-22(24)25-26(7,8)23(3,4)5/h13,15,18,20-22H,9-12,14,16H2,1-8H3/t18-,20+,21-,22-,24-/m0/s1.
What are the key properties of [(3S,3aS,8S,9aS,9bS)-3a,7-dimethyl-8-propyl-1,2,3,4,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-3-yl]oxy-tert-butyl-dimethylsilane?
[(3S,3aS,8S,9aS,9bS)-3a,7-dimethyl-8-propyl-1,2,3,4,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 374.69 g/mol, XLogP of 7.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,3aS,8S,9aS,9bS)-3a,7-dimethyl-8-propyl-1,2,3,4,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 58379445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).