(1-methoxy-9b-trimethylsilyloxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-yl)oxy-trimethylsilane

C20H34O3Si2 — CID 101256549

IUPAC(1-methoxy-9b-trimethylsilyloxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-yl)oxy-trimethylsilane
SMILESCOC1(O[Si](C)(C)C)CCC2CCc3ccccc3C21O[Si](C)(C)C
InChIInChI=1S/C20H34O3Si2/c1-21-19(22-24(2,3)4)15-14-17-13-12-16-10-8-9-11-18(16)20(17,19)23-25(5,6)7/h8-11,17H,12-15H2,1-7H3
InChIKeyLFBOUXJGYLRZMU-UHFFFAOYSA-N
MW378.66 g/mol
LogP5.28
Rot. Bonds5

About (1-methoxy-9b-trimethylsilyloxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-yl)oxy-trimethylsilane

(1-methoxy-9b-trimethylsilyloxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-yl)oxy-trimethylsilane (PubChem CID 101256549) has the molecular formula C20H34O3Si2 and a molecular weight of 378.66 g/mol. Its IUPAC name is (1-methoxy-9b-trimethylsilyloxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(1-methoxy-9b-trimethylsilyloxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-yl)oxy-trimethylsilane
PubChem CID101256549
Molecular FormulaC20H34O3Si2
Molecular Weight378.66 g/mol
Exact Mass378.20
IUPAC Name(1-methoxy-9b-trimethylsilyloxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-yl)oxy-trimethylsilane
SMILESCOC1(O[Si](C)(C)C)CCC2CCc3ccccc3C21O[Si](C)(C)C
InChIInChI=1S/C20H34O3Si2/c1-21-19(22-24(2,3)4)15-14-17-13-12-16-10-8-9-11-18(16)20(17,19)23-25(5,6)7/h8-11,17H,12-15H2,1-7H3
InChIKeyLFBOUXJGYLRZMU-UHFFFAOYSA-N
XLogP5.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.66
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 11311149
N,N-dimethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine
CID 15657719
2-methoxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)oxirane
CID 142155631
trimethyl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yloxy)silane
CID 589002
N-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine;hydrochloride
CID 19107108
(1R,9R,11S)-9-methyl-2-azapentacyclo[9.8.0.01,9.03,8.014,19]nonadeca-3,5,7,14,16,18-hexaene
CID 10956340
(3aS,9bR)-9b-hydroxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-one
CID 102092616
1-methoxy-2,3-dihydroindene-1-carboxylic acid
CID 22367227
4-chloro-4-(6-chloro-6-methoxycyclohexa-2,4-dien-1-yl)-2,3-dihydro-1H-naphthalene
CID 152534426
(9bR)-2,2,9b-trimethyl-4,5-dihydro-3aH-benzo[g][1,3]benzodioxole
CID 121400495
(1-cyclopropyl-3,4-dihydro-2H-naphthalen-1-yl)methanamine
CID 104819342
1,1-dimethoxy-3,4-dihydro-2H-isoquinoline
CID 66811083

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-9b-trimethylsilyloxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-yl)oxy-trimethylsilane?
The IUPAC name of (1-methoxy-9b-trimethylsilyloxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-yl)oxy-trimethylsilane (CID 101256549) is (1-methoxy-9b-trimethylsilyloxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-yl)oxy-trimethylsilane.
What is the SMILES notation for (1-methoxy-9b-trimethylsilyloxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-yl)oxy-trimethylsilane?
The canonical SMILES for (1-methoxy-9b-trimethylsilyloxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-yl)oxy-trimethylsilane is COC1(O[Si](C)(C)C)CCC2CCc3ccccc3C21O[Si](C)(C)C.
What is the InChIKey of (1-methoxy-9b-trimethylsilyloxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-yl)oxy-trimethylsilane?
The InChIKey is LFBOUXJGYLRZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O3Si2/c1-21-19(22-24(2,3)4)15-14-17-13-12-16-10-8-9-11-18(16)20(17,19)23-25(5,6)7/h8-11,17H,12-15H2,1-7H3.
What are the key properties of (1-methoxy-9b-trimethylsilyloxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-yl)oxy-trimethylsilane?
(1-methoxy-9b-trimethylsilyloxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-yl)oxy-trimethylsilane has a molecular weight of 378.66 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-9b-trimethylsilyloxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-yl)oxy-trimethylsilane is sourced from PubChem (CID 101256549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).