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

C19H36OSi — CID 15450399

IUPAC[(1R,3aR,4S,7aR)-7a-methyl-1-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C(C)[C@H]1CC[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]12C
InChIInChI=1S/C19H36OSi/c1-14(2)15-11-12-16-17(10-9-13-19(15,16)6)20-21(7,8)18(3,4)5/h15-17H,1,9-13H2,2-8H3/t15-,16+,17+,19-/m1/s1
InChIKeyQYSMTSGDQWEEIF-VUHPKUFZSA-N
MW308.58 g/mol
LogP6.17
Rot. Bonds3

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

[(1R,3aR,4S,7aR)-7a-methyl-1-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 15450399) has the molecular formula C19H36OSi and a molecular weight of 308.58 g/mol. Its IUPAC name is [(1R,3aR,4S,7aR)-7a-methyl-1-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R,3aR,4S,7aR)-7a-methyl-1-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
PubChem CID15450399
Molecular FormulaC19H36OSi
Molecular Weight308.58 g/mol
Exact Mass308.25
IUPAC Name[(1R,3aR,4S,7aR)-7a-methyl-1-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C(C)[C@H]1CC[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]12C
InChIInChI=1S/C19H36OSi/c1-14(2)15-11-12-16-17(10-9-13-19(15,16)6)20-21(7,8)18(3,4)5/h15-17H,1,9-13H2,2-8H3/t15-,16+,17+,19-/m1/s1
InChIKeyQYSMTSGDQWEEIF-VUHPKUFZSA-N
XLogP6.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.58
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(6R)-6-[(1R,3aR,4E,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-triethylsilane
CID 45257428
[(1R,3aR,4S,7aR)-7a-methyl-1-(7,7,7-trifluoro-6-methylhept-5-en-2-yl)-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
CID 57172869
[(1R,3aR,4S,7aR)-1-[(2R)-4,4-difluoro-6-methylhept-6-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
CID 168232552
[(1R,3aR,4S,7aR)-1-(4,4-difluoro-6-methylhept-6-en-2-yl)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
CID 174105696
[(1R,3aR,4S,7aR)-1-[(2S)-hexan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
CID 58907924
[(1R,3aR,4S,7aR)-1-[(2S)-6,6-dimethylheptan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
CID 67747448
[(1Z,3aR,4S,7aS)-7a-methyl-1-(5-methylhexylidene)-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy-triethylsilane
CID 70928447
[(1R,3aR,4S,7aR)-1-[(2S)-but-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-triethylsilane
CID 89068574
(3a-methyl-4-methylidene-2,3,5,6,7,7a-hexahydro-1H-inden-1-yl)oxy-tert-butyl-dimethylsilane
CID 75219742
4-[(3aR,4S,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-ylidene]but-3-en-1-ol
CID 162418352
[(3aR,4S,7aS)-1-(4-iodobut-1-enylidene)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy-tert-butyl-dimethylsilane
CID 162418357
tert-butyl-dimethyl-[[(1R,5S,6R,9S,10S,14R)-6,11,14-trimethyl-5-tetracyclo[7.6.0.01,6.010,14]pentadec-11-enyl]oxy]silane
CID 177545667

Frequently Asked Questions

What is the IUPAC name of [(1R,3aR,4S,7aR)-7a-methyl-1-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1R,3aR,4S,7aR)-7a-methyl-1-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane (CID 15450399) is [(1R,3aR,4S,7aR)-7a-methyl-1-prop-1-en-2-yl-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)-7a-methyl-1-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R,3aR,4S,7aR)-7a-methyl-1-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane is C=C(C)[C@H]1CC[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]12C.
What is the InChIKey of [(1R,3aR,4S,7aR)-7a-methyl-1-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is QYSMTSGDQWEEIF-VUHPKUFZSA-N. The full InChI is InChI=1S/C19H36OSi/c1-14(2)15-11-12-16-17(10-9-13-19(15,16)6)20-21(7,8)18(3,4)5/h15-17H,1,9-13H2,2-8H3/t15-,16+,17+,19-/m1/s1.
What are the key properties of [(1R,3aR,4S,7aR)-7a-methyl-1-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?
[(1R,3aR,4S,7aR)-7a-methyl-1-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 308.58 g/mol, XLogP of 6.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3aR,4S,7aR)-7a-methyl-1-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 15450399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).