[(4aS,6S)-1,4a-dimethyl-3,4,5,6,7,8-hexahydrobenzo[7]annulen-6-yl]oxy-tert-butyl-dimethylsilane

C19H34OSi — CID 10040842

IUPAC[(4aS,6S)-1,4a-dimethyl-3,4,5,6,7,8-hexahydrobenzo[7]annulen-6-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1=CCC[C@@]2(C)C[C@@H](O[Si](C)(C)C(C)(C)C)CCC=C12
InChIInChI=1S/C19H34OSi/c1-15-10-9-13-19(5)14-16(11-8-12-17(15)19)20-21(6,7)18(2,3)4/h10,12,16H,8-9,11,13-14H2,1-7H3/t16-,19-/m0/s1
InChIKeyRWGOTIHZTBJILN-LPHOPBHVSA-N
MW306.57 g/mol
LogP6.23
Rot. Bonds2

About [(4aS,6S)-1,4a-dimethyl-3,4,5,6,7,8-hexahydrobenzo[7]annulen-6-yl]oxy-tert-butyl-dimethylsilane

[(4aS,6S)-1,4a-dimethyl-3,4,5,6,7,8-hexahydrobenzo[7]annulen-6-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10040842) has the molecular formula C19H34OSi and a molecular weight of 306.57 g/mol. Its IUPAC name is [(4aS,6S)-1,4a-dimethyl-3,4,5,6,7,8-hexahydrobenzo[7]annulen-6-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(4aS,6S)-1,4a-dimethyl-3,4,5,6,7,8-hexahydrobenzo[7]annulen-6-yl]oxy-tert-butyl-dimethylsilane
PubChem CID10040842
Molecular FormulaC19H34OSi
Molecular Weight306.57 g/mol
Exact Mass306.24
IUPAC Name[(4aS,6S)-1,4a-dimethyl-3,4,5,6,7,8-hexahydrobenzo[7]annulen-6-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1=CCC[C@@]2(C)C[C@@H](O[Si](C)(C)C(C)(C)C)CCC=C12
InChIInChI=1S/C19H34OSi/c1-15-10-9-13-19(5)14-16(11-8-12-17(15)19)20-21(6,7)18(2,3)4/h10,12,16H,8-9,11,13-14H2,1-7H3/t16-,19-/m0/s1
InChIKeyRWGOTIHZTBJILN-LPHOPBHVSA-N
XLogP6.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.57
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(4aS,6S)-1,4a-dimethyl-3,4,5,6,7,8-hexahydrobenzo[7]annulen-6-yl]oxy-tert-butyl-dimethylsilane with MolForge

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Related Compounds

tert-butyl-cyclohept-4-en-1-yloxy-dimethylsilane
CID 11085508
(3a,4-dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl)oxy-tert-butyl-dimethylsilane
CID 75218881
tert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane
CID 142783605
[3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclopentyl]methanol
CID 140956891
tert-butyl-cycloundec-4-en-1-yloxy-dimethylsilane
CID 68818664
tert-butyl-(5-cyclopentylidenecyclooctyl)oxy-dimethylsilane
CID 10638575
(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclopentane-1,2-diol
CID 53497048
5-[tert-butyl(dimethyl)silyl]oxycyclohexene-1-carbonitrile;5-hydroxycyclohexene-1-carbonitrile
CID 160886295
(1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dimethyl-2-(4-methylphenyl)cyclopentane-1-carbaldehyde
CID 11256500
tert-butyl-dimethyl-[[(3R)-6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]silane
CID 11230258
tert-butyl-[(5Z)-cycloundec-5-en-1-yl]oxy-dimethylsilane
CID 22177390
tert-butyl-dimethyl-(5-methylidenecyclooctyl)oxysilane
CID 11118631

Frequently Asked Questions

What is the IUPAC name of [(4aS,6S)-1,4a-dimethyl-3,4,5,6,7,8-hexahydrobenzo[7]annulen-6-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(4aS,6S)-1,4a-dimethyl-3,4,5,6,7,8-hexahydrobenzo[7]annulen-6-yl]oxy-tert-butyl-dimethylsilane (CID 10040842) is [(4aS,6S)-1,4a-dimethyl-3,4,5,6,7,8-hexahydrobenzo[7]annulen-6-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(4aS,6S)-1,4a-dimethyl-3,4,5,6,7,8-hexahydrobenzo[7]annulen-6-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(4aS,6S)-1,4a-dimethyl-3,4,5,6,7,8-hexahydrobenzo[7]annulen-6-yl]oxy-tert-butyl-dimethylsilane is CC1=CCC[C@@]2(C)C[C@@H](O[Si](C)(C)C(C)(C)C)CCC=C12.
What is the InChIKey of [(4aS,6S)-1,4a-dimethyl-3,4,5,6,7,8-hexahydrobenzo[7]annulen-6-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is RWGOTIHZTBJILN-LPHOPBHVSA-N. The full InChI is InChI=1S/C19H34OSi/c1-15-10-9-13-19(5)14-16(11-8-12-17(15)19)20-21(6,7)18(2,3)4/h10,12,16H,8-9,11,13-14H2,1-7H3/t16-,19-/m0/s1.
What are the key properties of [(4aS,6S)-1,4a-dimethyl-3,4,5,6,7,8-hexahydrobenzo[7]annulen-6-yl]oxy-tert-butyl-dimethylsilane?
[(4aS,6S)-1,4a-dimethyl-3,4,5,6,7,8-hexahydrobenzo[7]annulen-6-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 306.57 g/mol, XLogP of 6.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,6S)-1,4a-dimethyl-3,4,5,6,7,8-hexahydrobenzo[7]annulen-6-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10040842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).