[1-[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane

C30H54OSi — CID 90798254

IUPAC[1-[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane
SMILESC=CC[Si](OC1CC2CCCCC2C1CCC1C(C)CC2CCCCC21)(C(C)C)C(C)C
InChIInChI=1S/C30H54OSi/c1-7-18-32(21(2)3,22(4)5)31-30-20-25-13-9-11-15-28(25)29(30)17-16-26-23(6)19-24-12-8-10-14-27(24)26/h7,21-30H,1,8-20H2,2-6H3
InChIKeyYAVATRREJAFMOC-UHFFFAOYSA-N
MW458.85 g/mol
LogP9.39
Rot. Bonds9

About [1-[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane

[1-[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane (PubChem CID 90798254) has the molecular formula C30H54OSi and a molecular weight of 458.85 g/mol. Its IUPAC name is [1-[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane.

Molecular Properties

Compound Name[1-[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane
PubChem CID90798254
Molecular FormulaC30H54OSi
Molecular Weight458.85 g/mol
Exact Mass458.39
IUPAC Name[1-[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane
SMILESC=CC[Si](OC1CC2CCCCC2C1CCC1C(C)CC2CCCCC21)(C(C)C)C(C)C
InChIInChI=1S/C30H54OSi/c1-7-18-32(21(2)3,22(4)5)31-30-20-25-13-9-11-15-28(25)29(30)17-16-26-23(6)19-24-12-8-10-14-27(24)26/h7,21-30H,1,8-20H2,2-6H3
InChIKeyYAVATRREJAFMOC-UHFFFAOYSA-N
XLogP9.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.85
LogP ≤ 59.39
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'}

Analyze [1-[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane with MolForge

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Related Compounds

[2-[2-[5-[di(propan-2-yl)-prop-2-enylsilyl]oxy-2,3-dimethylcyclopentyl]ethyl]-3,4-dimethylcyclopentyl]oxy-di(propan-2-yl)-prop-2-enylsilane
CID 58630465
[1-[2-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane
CID 58630452
1-ethyl-2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 147174204
9-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 172560711
(1S,2S,3aR,7aR)-1,2-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;cyclohexane
CID 90841263
2-cyclohexyl-1-[2-(4-methylcyclohexyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 58552321
(4aR,8aS)-3-ethyl-2-methyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene
CID 162292694
2-ethyl-1-(5-ethyl-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclopentane
CID 161039599
2-cyclohexyl-1-(2-cyclohexylethyl)-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 58552522
2-(3,4-dimethylcyclohexyl)cyclohexane-1-carbaldehyde
CID 88851779
6-cyclohexyl-1-(2-ethylbutyl)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58552538
(1S,3R,4aR,8aS)-1,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751792

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane?
The IUPAC name of [1-[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane (CID 90798254) is [1-[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane.
What is the SMILES notation for [1-[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane?
The canonical SMILES for [1-[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane is C=CC[Si](OC1CC2CCCCC2C1CCC1C(C)CC2CCCCC21)(C(C)C)C(C)C.
What is the InChIKey of [1-[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane?
The InChIKey is YAVATRREJAFMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54OSi/c1-7-18-32(21(2)3,22(4)5)31-30-20-25-13-9-11-15-28(25)29(30)17-16-26-23(6)19-24-12-8-10-14-27(24)26/h7,21-30H,1,8-20H2,2-6H3.
What are the key properties of [1-[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane?
[1-[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane has a molecular weight of 458.85 g/mol, XLogP of 9.39, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane is sourced from PubChem (CID 90798254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).