1-[(4aS,8R,8aS)-4a-methyl-8-trimethylsilyloxy-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]ethanol

C16H30O2Si — CID 10469006

IUPAC1-[(4aS,8R,8aS)-4a-methyl-8-trimethylsilyloxy-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]ethanol
SMILESCC(O)C1=CC[C@]2(C)CCC[C@@H](O[Si](C)(C)C)[C@H]2C1
InChIInChI=1S/C16H30O2Si/c1-12(17)13-8-10-16(2)9-6-7-15(14(16)11-13)18-19(3,4)5/h8,12,14-15,17H,6-7,9-11H2,1-5H3/t12?,14-,15-,16+/m1/s1
InChIKeyDLOVCMYVGWDRQG-SJFVDLKVSA-N
MW282.50 g/mol
LogP4.11
Rot. Bonds3

About 1-[(4aS,8R,8aS)-4a-methyl-8-trimethylsilyloxy-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]ethanol

1-[(4aS,8R,8aS)-4a-methyl-8-trimethylsilyloxy-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]ethanol (PubChem CID 10469006) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is 1-[(4aS,8R,8aS)-4a-methyl-8-trimethylsilyloxy-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]ethanol.

Molecular Properties

Compound Name1-[(4aS,8R,8aS)-4a-methyl-8-trimethylsilyloxy-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]ethanol
PubChem CID10469006
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name1-[(4aS,8R,8aS)-4a-methyl-8-trimethylsilyloxy-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]ethanol
SMILESCC(O)C1=CC[C@]2(C)CCC[C@@H](O[Si](C)(C)C)[C@H]2C1
InChIInChI=1S/C16H30O2Si/c1-12(17)13-8-10-16(2)9-6-7-15(14(16)11-13)18-19(3,4)5/h8,12,14-15,17H,6-7,9-11H2,1-5H3/t12?,14-,15-,16+/m1/s1
InChIKeyDLOVCMYVGWDRQG-SJFVDLKVSA-N
XLogP4.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.11
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4aS,8R,8aS)-4a-methyl-8-trimethylsilyloxy-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]ethanol?
The IUPAC name of 1-[(4aS,8R,8aS)-4a-methyl-8-trimethylsilyloxy-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]ethanol (CID 10469006) is 1-[(4aS,8R,8aS)-4a-methyl-8-trimethylsilyloxy-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]ethanol.
What is the SMILES notation for 1-[(4aS,8R,8aS)-4a-methyl-8-trimethylsilyloxy-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]ethanol?
The canonical SMILES for 1-[(4aS,8R,8aS)-4a-methyl-8-trimethylsilyloxy-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]ethanol is CC(O)C1=CC[C@]2(C)CCC[C@@H](O[Si](C)(C)C)[C@H]2C1.
What is the InChIKey of 1-[(4aS,8R,8aS)-4a-methyl-8-trimethylsilyloxy-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]ethanol?
The InChIKey is DLOVCMYVGWDRQG-SJFVDLKVSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-12(17)13-8-10-16(2)9-6-7-15(14(16)11-13)18-19(3,4)5/h8,12,14-15,17H,6-7,9-11H2,1-5H3/t12?,14-,15-,16+/m1/s1.
What are the key properties of 1-[(4aS,8R,8aS)-4a-methyl-8-trimethylsilyloxy-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]ethanol?
1-[(4aS,8R,8aS)-4a-methyl-8-trimethylsilyloxy-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]ethanol has a molecular weight of 282.50 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4aS,8R,8aS)-4a-methyl-8-trimethylsilyloxy-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]ethanol is sourced from PubChem (CID 10469006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).