2-(7a-methyl-4-triethylsilyloxy-3,3a,4,5,6,7-hexahydroinden-1-yl)propan-1-ol

C19H36O2Si — CID 57241447

IUPAC2-(7a-methyl-4-triethylsilyloxy-3,3a,4,5,6,7-hexahydroinden-1-yl)propan-1-ol
SMILESCC[Si](CC)(CC)OC1CCCC2(C)C(C(C)CO)=CCC12
InChIInChI=1S/C19H36O2Si/c1-6-22(7-2,8-3)21-18-10-9-13-19(5)16(15(4)14-20)11-12-17(18)19/h11,15,17-18,20H,6-10,12-14H2,1-5H3
InChIKeyPKBYSRVMEHILMR-UHFFFAOYSA-N
MW324.58 g/mol
LogP5.14
Rot. Bonds7

About 2-(7a-methyl-4-triethylsilyloxy-3,3a,4,5,6,7-hexahydroinden-1-yl)propan-1-ol

2-(7a-methyl-4-triethylsilyloxy-3,3a,4,5,6,7-hexahydroinden-1-yl)propan-1-ol (PubChem CID 57241447) has the molecular formula C19H36O2Si and a molecular weight of 324.58 g/mol. Its IUPAC name is 2-(7a-methyl-4-triethylsilyloxy-3,3a,4,5,6,7-hexahydroinden-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-(7a-methyl-4-triethylsilyloxy-3,3a,4,5,6,7-hexahydroinden-1-yl)propan-1-ol
PubChem CID57241447
Molecular FormulaC19H36O2Si
Molecular Weight324.58 g/mol
Exact Mass324.25
IUPAC Name2-(7a-methyl-4-triethylsilyloxy-3,3a,4,5,6,7-hexahydroinden-1-yl)propan-1-ol
SMILESCC[Si](CC)(CC)OC1CCCC2(C)C(C(C)CO)=CCC12
InChIInChI=1S/C19H36O2Si/c1-6-22(7-2,8-3)21-18-10-9-13-19(5)16(15(4)14-20)11-12-17(18)19/h11,15,17-18,20H,6-10,12-14H2,1-5H3
InChIKeyPKBYSRVMEHILMR-UHFFFAOYSA-N
XLogP5.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.58
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(7a-methyl-4-triethylsilyloxy-3,3a,4,5,6,7-hexahydroinden-1-yl)propan-1-ol with MolForge

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Related Compounds

Achilleol A
CID 5471312
Buzhysxwcxkzpr-cabcvrresa-
CID 14563305
(1R,3aR,4S,7aR)-1-[(E,2S)-6-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
CID 58221243
(1S,5S,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1H-inden-5-ol
CID 10957887
(5S,6R,10R)-3,6-dimethylspiro[4.5]dec-3-en-10-ol
CID 24749918
(1S)-1-[(3aR,4S,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-3,3a,4,5,6,7-hexahydroinden-1-yl]ethane-1,2-diol
CID 101743209
(Z)-6-[(3aS,7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]-2-methylhex-5-en-2-ol
CID 134931506
[(5S,6R,9S,10R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-yl]oxy-triethylsilane
CID 135019405
(4S,7R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyl-4-propan-2-yl-1,4,5,6,7,7a-hexahydroinden-3a-ol
CID 138968869
4-[(3aR,4S,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-ylidene]but-3-en-1-ol
CID 162418352
(2S,3S)-2-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-6-methylidenecyclohexyl]-3-methylpent-4-en-1-ol
CID 164674454
(6R)-6-[(3aR,4S,7aS)-7a-methyl-4-triethylsilyloxy-3,3a,4,5,6,7-hexahydroinden-1-yl]-3,3-difluoro-2-methylheptan-2-ol
CID 10598765

Frequently Asked Questions

What is the IUPAC name of 2-(7a-methyl-4-triethylsilyloxy-3,3a,4,5,6,7-hexahydroinden-1-yl)propan-1-ol?
The IUPAC name of 2-(7a-methyl-4-triethylsilyloxy-3,3a,4,5,6,7-hexahydroinden-1-yl)propan-1-ol (CID 57241447) is 2-(7a-methyl-4-triethylsilyloxy-3,3a,4,5,6,7-hexahydroinden-1-yl)propan-1-ol.
What is the SMILES notation for 2-(7a-methyl-4-triethylsilyloxy-3,3a,4,5,6,7-hexahydroinden-1-yl)propan-1-ol?
The canonical SMILES for 2-(7a-methyl-4-triethylsilyloxy-3,3a,4,5,6,7-hexahydroinden-1-yl)propan-1-ol is CC[Si](CC)(CC)OC1CCCC2(C)C(C(C)CO)=CCC12.
What is the InChIKey of 2-(7a-methyl-4-triethylsilyloxy-3,3a,4,5,6,7-hexahydroinden-1-yl)propan-1-ol?
The InChIKey is PKBYSRVMEHILMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2Si/c1-6-22(7-2,8-3)21-18-10-9-13-19(5)16(15(4)14-20)11-12-17(18)19/h11,15,17-18,20H,6-10,12-14H2,1-5H3.
What are the key properties of 2-(7a-methyl-4-triethylsilyloxy-3,3a,4,5,6,7-hexahydroinden-1-yl)propan-1-ol?
2-(7a-methyl-4-triethylsilyloxy-3,3a,4,5,6,7-hexahydroinden-1-yl)propan-1-ol has a molecular weight of 324.58 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7a-methyl-4-triethylsilyloxy-3,3a,4,5,6,7-hexahydroinden-1-yl)propan-1-ol is sourced from PubChem (CID 57241447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).