triethyl(2,3,4,5,8,9-hexahydrocyclopenta[a]naphthalen-3a-yloxy)silane

C19H30OSi — CID 10804358

IUPACtriethyl(2,3,4,5,8,9-hexahydrocyclopenta[a]naphthalen-3a-yloxy)silane
SMILESCC[Si](CC)(CC)OC12CCC=C1C1=C(C=CCC1)CC2
InChIInChI=1S/C19H30OSi/c1-4-21(5-2,6-3)20-19-14-9-12-18(19)17-11-8-7-10-16(17)13-15-19/h7,10,12H,4-6,8-9,11,13-15H2,1-3H3
InChIKeyXRUBXAQHAGHSOQ-UHFFFAOYSA-N
MW302.53 g/mol
LogP5.91
Rot. Bonds5

About triethyl(2,3,4,5,8,9-hexahydrocyclopenta[a]naphthalen-3a-yloxy)silane

triethyl(2,3,4,5,8,9-hexahydrocyclopenta[a]naphthalen-3a-yloxy)silane (PubChem CID 10804358) has the molecular formula C19H30OSi and a molecular weight of 302.53 g/mol. Its IUPAC name is triethyl(2,3,4,5,8,9-hexahydrocyclopenta[a]naphthalen-3a-yloxy)silane.

Molecular Properties

Compound Nametriethyl(2,3,4,5,8,9-hexahydrocyclopenta[a]naphthalen-3a-yloxy)silane
PubChem CID10804358
Molecular FormulaC19H30OSi
Molecular Weight302.53 g/mol
Exact Mass302.21
IUPAC Nametriethyl(2,3,4,5,8,9-hexahydrocyclopenta[a]naphthalen-3a-yloxy)silane
SMILESCC[Si](CC)(CC)OC12CCC=C1C1=C(C=CCC1)CC2
InChIInChI=1S/C19H30OSi/c1-4-21(5-2,6-3)20-19-14-9-12-18(19)17-11-8-7-10-16(17)13-15-19/h7,10,12H,4-6,8-9,11,13-15H2,1-3H3
InChIKeyXRUBXAQHAGHSOQ-UHFFFAOYSA-N
XLogP5.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.53
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 10689513
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CID 10869629
triethyl-[(8-methyl-3,4,5,6-tetrahydro-2H-azulen-3a-yl)oxy]silane
CID 11011339
triethyl-[[(4S)-4-methyl-3,4,5,6-tetrahydro-2H-azulen-3a-yl]oxy]silane
CID 101571971
Tert-butyl-(2-ethenyl-1-methylcyclohept-2-en-1-yl)oxy-dimethylsilane
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2,2,8a-trimethyl-7,8-dihydro-3H-1,2-benzoxasiline
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Triethyl-[(5-methyl-1,2,6,7,8,9-hexahydrobenzo[7]annulen-9a-yl)oxy]silane
CID 134979687
tert-butyl-dimethyl-[[(13S)-1,2,6,7,11,12,16,17-octahydrocyclopenta[a]phenanthren-13-yl]oxy]silane
CID 135061333
Triethyl(2,3,4,5-tetrahydroinden-3a-yloxy)silane
CID 10729387
[2-Tert-butyl-1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-4-methylcyclohexa-2,4-dien-1-yl]oxy-trimethylsilane
CID 141023547
(1-Tert-butyl-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxy-dimethylsilane
CID 173332319
[(1S)-1-tert-butyl-2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane
CID 173332321

Frequently Asked Questions

What is the IUPAC name of triethyl(2,3,4,5,8,9-hexahydrocyclopenta[a]naphthalen-3a-yloxy)silane?
The IUPAC name of triethyl(2,3,4,5,8,9-hexahydrocyclopenta[a]naphthalen-3a-yloxy)silane (CID 10804358) is triethyl(2,3,4,5,8,9-hexahydrocyclopenta[a]naphthalen-3a-yloxy)silane.
What is the SMILES notation for triethyl(2,3,4,5,8,9-hexahydrocyclopenta[a]naphthalen-3a-yloxy)silane?
The canonical SMILES for triethyl(2,3,4,5,8,9-hexahydrocyclopenta[a]naphthalen-3a-yloxy)silane is CC[Si](CC)(CC)OC12CCC=C1C1=C(C=CCC1)CC2.
What is the InChIKey of triethyl(2,3,4,5,8,9-hexahydrocyclopenta[a]naphthalen-3a-yloxy)silane?
The InChIKey is XRUBXAQHAGHSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30OSi/c1-4-21(5-2,6-3)20-19-14-9-12-18(19)17-11-8-7-10-16(17)13-15-19/h7,10,12H,4-6,8-9,11,13-15H2,1-3H3.
What are the key properties of triethyl(2,3,4,5,8,9-hexahydrocyclopenta[a]naphthalen-3a-yloxy)silane?
triethyl(2,3,4,5,8,9-hexahydrocyclopenta[a]naphthalen-3a-yloxy)silane has a molecular weight of 302.53 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(2,3,4,5,8,9-hexahydrocyclopenta[a]naphthalen-3a-yloxy)silane is sourced from PubChem (CID 10804358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).