tert-butyl-[[(5Z)-5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-dimethylsilane

C19H36OSi — CID 70005010

IUPACtert-butyl-[[(5Z)-5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-dimethylsilane
SMILESC/C=C1/CCCC2C(O[Si](C)(C)C(C)(C)C)CCCC12C
InChIInChI=1S/C19H36OSi/c1-8-15-11-9-12-16-17(13-10-14-19(15,16)5)20-21(6,7)18(2,3)4/h8,16-17H,9-14H2,1-7H3/b15-8-
InChIKeyFTMJRPJPZCCEQH-NVNXTCNLSA-N
MW308.58 g/mol
LogP6.31
Rot. Bonds2

About tert-butyl-[[(5Z)-5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-dimethylsilane

tert-butyl-[[(5Z)-5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-dimethylsilane (PubChem CID 70005010) has the molecular formula C19H36OSi and a molecular weight of 308.58 g/mol. Its IUPAC name is tert-butyl-[[(5Z)-5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(5Z)-5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-dimethylsilane
PubChem CID70005010
Molecular FormulaC19H36OSi
Molecular Weight308.58 g/mol
Exact Mass308.25
IUPAC Nametert-butyl-[[(5Z)-5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-dimethylsilane
SMILESC/C=C1/CCCC2C(O[Si](C)(C)C(C)(C)C)CCCC12C
InChIInChI=1S/C19H36OSi/c1-8-15-11-9-12-16-17(13-10-14-19(15,16)5)20-21(6,7)18(2,3)4/h8,16-17H,9-14H2,1-7H3/b15-8-
InChIKeyFTMJRPJPZCCEQH-NVNXTCNLSA-N
XLogP6.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.58
LogP ≤ 56.31
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(5Z)-5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(5Z)-5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-dimethylsilane (CID 70005010) is tert-butyl-[[(5Z)-5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(5Z)-5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(5Z)-5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-dimethylsilane is C/C=C1/CCCC2C(O[Si](C)(C)C(C)(C)C)CCCC12C.
What is the InChIKey of tert-butyl-[[(5Z)-5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-dimethylsilane?
The InChIKey is FTMJRPJPZCCEQH-NVNXTCNLSA-N. The full InChI is InChI=1S/C19H36OSi/c1-8-15-11-9-12-16-17(13-10-14-19(15,16)5)20-21(6,7)18(2,3)4/h8,16-17H,9-14H2,1-7H3/b15-8-.
What are the key properties of tert-butyl-[[(5Z)-5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-dimethylsilane?
tert-butyl-[[(5Z)-5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-dimethylsilane has a molecular weight of 308.58 g/mol, XLogP of 6.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(5Z)-5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-dimethylsilane is sourced from PubChem (CID 70005010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).