[(1S,7aS)-7a-methyl-4-propan-2-yl-1-(2-trimethylsilylethoxymethoxy)-1,2,3,5,6,7-hexahydroinden-5-yl]methanol

C20H38O3Si — CID 134934079

IUPAC[(1S,7aS)-7a-methyl-4-propan-2-yl-1-(2-trimethylsilylethoxymethoxy)-1,2,3,5,6,7-hexahydroinden-5-yl]methanol
SMILESCC(C)C1=C2CC[C@H](OCOCC[Si](C)(C)C)[C@@]2(C)CCC1CO
InChIInChI=1S/C20H38O3Si/c1-15(2)19-16(13-21)9-10-20(3)17(19)7-8-18(20)23-14-22-11-12-24(4,5)6/h15-16,18,21H,7-14H2,1-6H3/t16?,18-,20-/m0/s1
InChIKeyLYTNQOBQPYJYIR-WNPSOCMYSA-N
MW354.61 g/mol
LogP4.84
Rot. Bonds8

About [(1S,7aS)-7a-methyl-4-propan-2-yl-1-(2-trimethylsilylethoxymethoxy)-1,2,3,5,6,7-hexahydroinden-5-yl]methanol

[(1S,7aS)-7a-methyl-4-propan-2-yl-1-(2-trimethylsilylethoxymethoxy)-1,2,3,5,6,7-hexahydroinden-5-yl]methanol (PubChem CID 134934079) has the molecular formula C20H38O3Si and a molecular weight of 354.61 g/mol. Its IUPAC name is [(1S,7aS)-7a-methyl-4-propan-2-yl-1-(2-trimethylsilylethoxymethoxy)-1,2,3,5,6,7-hexahydroinden-5-yl]methanol.

Molecular Properties

Compound Name[(1S,7aS)-7a-methyl-4-propan-2-yl-1-(2-trimethylsilylethoxymethoxy)-1,2,3,5,6,7-hexahydroinden-5-yl]methanol
PubChem CID134934079
Molecular FormulaC20H38O3Si
Molecular Weight354.61 g/mol
Exact Mass354.26
IUPAC Name[(1S,7aS)-7a-methyl-4-propan-2-yl-1-(2-trimethylsilylethoxymethoxy)-1,2,3,5,6,7-hexahydroinden-5-yl]methanol
SMILESCC(C)C1=C2CC[C@H](OCOCC[Si](C)(C)C)[C@@]2(C)CCC1CO
InChIInChI=1S/C20H38O3Si/c1-15(2)19-16(13-21)9-10-20(3)17(19)7-8-18(20)23-14-22-11-12-24(4,5)6/h15-16,18,21H,7-14H2,1-6H3/t16?,18-,20-/m0/s1
InChIKeyLYTNQOBQPYJYIR-WNPSOCMYSA-N
XLogP4.84
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.61
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,5S,7aS)-7a-methyl-4-propan-2-yl-1-(2-trimethylsilylethoxymethoxy)-1,2,3,5,6,7-hexahydroinden-5-ol
CID 134880486
[(1S,3aS,7aS)-7a-methyl-4-propan-2-yl-1-(2-trimethylsilylethoxymethoxy)-2,3,6,7-tetrahydro-1H-inden-3a-yl]methanol
CID 134934009
[(1S,3aS,7aS)-7a-methyl-4-(2-methylpropyl)-1-(2-trimethylsilylethoxymethoxy)-2,3,6,7-tetrahydro-1H-inden-3a-yl]methanol
CID 162417034
(1S,5S,7aS)-4-isobutyl-7a-methyl-1-{[2-(trimethylsilyl)ethoxy]methoxy}-2,3,5,6,7,7a-hexahydro-1H-inden-5-ol
CID 99771688
3-[(4S,5R,6R,10R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)spiro[4.5]dec-8-en-10-yl]propan-1-ol
CID 101538930
(1S,5S,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxymethyl)-7a-methyl-1,2,3,5,6,7-hexahydroinden-5-ol
CID 102482533

Frequently Asked Questions

What is the IUPAC name of [(1S,7aS)-7a-methyl-4-propan-2-yl-1-(2-trimethylsilylethoxymethoxy)-1,2,3,5,6,7-hexahydroinden-5-yl]methanol?
The IUPAC name of [(1S,7aS)-7a-methyl-4-propan-2-yl-1-(2-trimethylsilylethoxymethoxy)-1,2,3,5,6,7-hexahydroinden-5-yl]methanol (CID 134934079) is [(1S,7aS)-7a-methyl-4-propan-2-yl-1-(2-trimethylsilylethoxymethoxy)-1,2,3,5,6,7-hexahydroinden-5-yl]methanol.
What is the SMILES notation for [(1S,7aS)-7a-methyl-4-propan-2-yl-1-(2-trimethylsilylethoxymethoxy)-1,2,3,5,6,7-hexahydroinden-5-yl]methanol?
The canonical SMILES for [(1S,7aS)-7a-methyl-4-propan-2-yl-1-(2-trimethylsilylethoxymethoxy)-1,2,3,5,6,7-hexahydroinden-5-yl]methanol is CC(C)C1=C2CC[C@H](OCOCC[Si](C)(C)C)[C@@]2(C)CCC1CO.
What is the InChIKey of [(1S,7aS)-7a-methyl-4-propan-2-yl-1-(2-trimethylsilylethoxymethoxy)-1,2,3,5,6,7-hexahydroinden-5-yl]methanol?
The InChIKey is LYTNQOBQPYJYIR-WNPSOCMYSA-N. The full InChI is InChI=1S/C20H38O3Si/c1-15(2)19-16(13-21)9-10-20(3)17(19)7-8-18(20)23-14-22-11-12-24(4,5)6/h15-16,18,21H,7-14H2,1-6H3/t16?,18-,20-/m0/s1.
What are the key properties of [(1S,7aS)-7a-methyl-4-propan-2-yl-1-(2-trimethylsilylethoxymethoxy)-1,2,3,5,6,7-hexahydroinden-5-yl]methanol?
[(1S,7aS)-7a-methyl-4-propan-2-yl-1-(2-trimethylsilylethoxymethoxy)-1,2,3,5,6,7-hexahydroinden-5-yl]methanol has a molecular weight of 354.61 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,7aS)-7a-methyl-4-propan-2-yl-1-(2-trimethylsilylethoxymethoxy)-1,2,3,5,6,7-hexahydroinden-5-yl]methanol is sourced from PubChem (CID 134934079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).