[(1S,4aR,7R,8aS)-1,4a-dimethyl-7-prop-1-en-2-yl-5-trimethylsilyloxy-4,7,8,8a-tetrahydro-1H-naphthalen-2-yl]oxy-trimethylsilane

C21H38O2Si2 — CID 24786810

IUPAC[(1S,4aR,7R,8aS)-1,4a-dimethyl-7-prop-1-en-2-yl-5-trimethylsilyloxy-4,7,8,8a-tetrahydro-1H-naphthalen-2-yl]oxy-trimethylsilane
SMILESC=C(C)[C@H]1C=C(O[Si](C)(C)C)[C@]2(C)CC=C(O[Si](C)(C)C)[C@@H](C)[C@@H]2C1
InChIInChI=1S/C21H38O2Si2/c1-15(2)17-13-18-16(3)19(22-24(5,6)7)11-12-21(18,4)20(14-17)23-25(8,9)10/h11,14,16-18H,1,12-13H2,2-10H3/t16-,17+,18-,21+/m0/s1
InChIKeyNUGNOXFFYMKDJT-TWFHAPMSSA-N
MW378.71 g/mol
LogP6.72
Rot. Bonds5

About [(1S,4aR,7R,8aS)-1,4a-dimethyl-7-prop-1-en-2-yl-5-trimethylsilyloxy-4,7,8,8a-tetrahydro-1H-naphthalen-2-yl]oxy-trimethylsilane

[(1S,4aR,7R,8aS)-1,4a-dimethyl-7-prop-1-en-2-yl-5-trimethylsilyloxy-4,7,8,8a-tetrahydro-1H-naphthalen-2-yl]oxy-trimethylsilane (PubChem CID 24786810) has the molecular formula C21H38O2Si2 and a molecular weight of 378.71 g/mol. Its IUPAC name is [(1S,4aR,7R,8aS)-1,4a-dimethyl-7-prop-1-en-2-yl-5-trimethylsilyloxy-4,7,8,8a-tetrahydro-1H-naphthalen-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1S,4aR,7R,8aS)-1,4a-dimethyl-7-prop-1-en-2-yl-5-trimethylsilyloxy-4,7,8,8a-tetrahydro-1H-naphthalen-2-yl]oxy-trimethylsilane
PubChem CID24786810
Molecular FormulaC21H38O2Si2
Molecular Weight378.71 g/mol
Exact Mass378.24
IUPAC Name[(1S,4aR,7R,8aS)-1,4a-dimethyl-7-prop-1-en-2-yl-5-trimethylsilyloxy-4,7,8,8a-tetrahydro-1H-naphthalen-2-yl]oxy-trimethylsilane
SMILESC=C(C)[C@H]1C=C(O[Si](C)(C)C)[C@]2(C)CC=C(O[Si](C)(C)C)[C@@H](C)[C@@H]2C1
InChIInChI=1S/C21H38O2Si2/c1-15(2)17-13-18-16(3)19(22-24(5,6)7)11-12-21(18,4)20(14-17)23-25(8,9)10/h11,14,16-18H,1,12-13H2,2-10H3/t16-,17+,18-,21+/m0/s1
InChIKeyNUGNOXFFYMKDJT-TWFHAPMSSA-N
XLogP6.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.71
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [(1S,4aR,7R,8aS)-1,4a-dimethyl-7-prop-1-en-2-yl-5-trimethylsilyloxy-4,7,8,8a-tetrahydro-1H-naphthalen-2-yl]oxy-trimethylsilane?
The IUPAC name of [(1S,4aR,7R,8aS)-1,4a-dimethyl-7-prop-1-en-2-yl-5-trimethylsilyloxy-4,7,8,8a-tetrahydro-1H-naphthalen-2-yl]oxy-trimethylsilane (CID 24786810) is [(1S,4aR,7R,8aS)-1,4a-dimethyl-7-prop-1-en-2-yl-5-trimethylsilyloxy-4,7,8,8a-tetrahydro-1H-naphthalen-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [(1S,4aR,7R,8aS)-1,4a-dimethyl-7-prop-1-en-2-yl-5-trimethylsilyloxy-4,7,8,8a-tetrahydro-1H-naphthalen-2-yl]oxy-trimethylsilane?
The canonical SMILES for [(1S,4aR,7R,8aS)-1,4a-dimethyl-7-prop-1-en-2-yl-5-trimethylsilyloxy-4,7,8,8a-tetrahydro-1H-naphthalen-2-yl]oxy-trimethylsilane is C=C(C)[C@H]1C=C(O[Si](C)(C)C)[C@]2(C)CC=C(O[Si](C)(C)C)[C@@H](C)[C@@H]2C1.
What is the InChIKey of [(1S,4aR,7R,8aS)-1,4a-dimethyl-7-prop-1-en-2-yl-5-trimethylsilyloxy-4,7,8,8a-tetrahydro-1H-naphthalen-2-yl]oxy-trimethylsilane?
The InChIKey is NUGNOXFFYMKDJT-TWFHAPMSSA-N. The full InChI is InChI=1S/C21H38O2Si2/c1-15(2)17-13-18-16(3)19(22-24(5,6)7)11-12-21(18,4)20(14-17)23-25(8,9)10/h11,14,16-18H,1,12-13H2,2-10H3/t16-,17+,18-,21+/m0/s1.
What are the key properties of [(1S,4aR,7R,8aS)-1,4a-dimethyl-7-prop-1-en-2-yl-5-trimethylsilyloxy-4,7,8,8a-tetrahydro-1H-naphthalen-2-yl]oxy-trimethylsilane?
[(1S,4aR,7R,8aS)-1,4a-dimethyl-7-prop-1-en-2-yl-5-trimethylsilyloxy-4,7,8,8a-tetrahydro-1H-naphthalen-2-yl]oxy-trimethylsilane has a molecular weight of 378.71 g/mol, XLogP of 6.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4aR,7R,8aS)-1,4a-dimethyl-7-prop-1-en-2-yl-5-trimethylsilyloxy-4,7,8,8a-tetrahydro-1H-naphthalen-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 24786810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).