5,5-dimethyl-2-trimethylsilyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol

C15H28OSi — CID 552494

IUPAC5,5-dimethyl-2-trimethylsilyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol
SMILESCC1(C)CCC=C2CC(O)([Si](C)(C)C)CCC21
InChIInChI=1S/C15H28OSi/c1-14(2)9-6-7-12-11-15(16,17(3,4)5)10-8-13(12)14/h7,13,16H,6,8-11H2,1-5H3
InChIKeyKONAKHKYZCZGAY-UHFFFAOYSA-N
MW252.47 g/mol
LogP4.14
Rot. Bonds1

About 5,5-dimethyl-2-trimethylsilyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol

5,5-dimethyl-2-trimethylsilyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol (PubChem CID 552494) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is 5,5-dimethyl-2-trimethylsilyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol.

Molecular Properties

Compound Name5,5-dimethyl-2-trimethylsilyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol
PubChem CID552494
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name5,5-dimethyl-2-trimethylsilyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol
SMILESCC1(C)CCC=C2CC(O)([Si](C)(C)C)CCC21
InChIInChI=1S/C15H28OSi/c1-14(2)9-6-7-12-11-15(16,17(3,4)5)10-8-13(12)14/h7,13,16H,6,8-11H2,1-5H3
InChIKeyKONAKHKYZCZGAY-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 5,5-dimethyl-2-trimethylsilyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol?
The IUPAC name of 5,5-dimethyl-2-trimethylsilyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol (CID 552494) is 5,5-dimethyl-2-trimethylsilyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol.
What is the SMILES notation for 5,5-dimethyl-2-trimethylsilyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol?
The canonical SMILES for 5,5-dimethyl-2-trimethylsilyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol is CC1(C)CCC=C2CC(O)([Si](C)(C)C)CCC21.
What is the InChIKey of 5,5-dimethyl-2-trimethylsilyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol?
The InChIKey is KONAKHKYZCZGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28OSi/c1-14(2)9-6-7-12-11-15(16,17(3,4)5)10-8-13(12)14/h7,13,16H,6,8-11H2,1-5H3.
What are the key properties of 5,5-dimethyl-2-trimethylsilyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol?
5,5-dimethyl-2-trimethylsilyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol has a molecular weight of 252.47 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-trimethylsilyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol is sourced from PubChem (CID 552494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).