[(1aS,4aR,5R,7S,8aR)-4a-methyl-7-propan-2-yl-1a,4,5,6,7,8-hexahydronaphtho[4a,5-b]oxiren-5-yl]-trimethylsilane

C17H30OSi — CID 11666301

IUPAC[(1aS,4aR,5R,7S,8aR)-4a-methyl-7-propan-2-yl-1a,4,5,6,7,8-hexahydronaphtho[4a,5-b]oxiren-5-yl]-trimethylsilane
SMILESCC(C)[C@@H]1C[C@@H]([Si](C)(C)C)[C@]2(C)CC=C[C@@H]3O[C@@]32C1
InChIInChI=1S/C17H30OSi/c1-12(2)13-10-15(19(4,5)6)16(3)9-7-8-14-17(16,11-13)18-14/h7-8,12-15H,9-11H2,1-6H3/t13-,14+,15-,16+,17+/m1/s1
InChIKeyPQIKCVHMDFMKBP-ALYAQQCSSA-N
MW278.51 g/mol
LogP4.86
Rot. Bonds2

About [(1aS,4aR,5R,7S,8aR)-4a-methyl-7-propan-2-yl-1a,4,5,6,7,8-hexahydronaphtho[4a,5-b]oxiren-5-yl]-trimethylsilane

[(1aS,4aR,5R,7S,8aR)-4a-methyl-7-propan-2-yl-1a,4,5,6,7,8-hexahydronaphtho[4a,5-b]oxiren-5-yl]-trimethylsilane (PubChem CID 11666301) has the molecular formula C17H30OSi and a molecular weight of 278.51 g/mol. Its IUPAC name is [(1aS,4aR,5R,7S,8aR)-4a-methyl-7-propan-2-yl-1a,4,5,6,7,8-hexahydronaphtho[4a,5-b]oxiren-5-yl]-trimethylsilane.

Molecular Properties

Compound Name[(1aS,4aR,5R,7S,8aR)-4a-methyl-7-propan-2-yl-1a,4,5,6,7,8-hexahydronaphtho[4a,5-b]oxiren-5-yl]-trimethylsilane
PubChem CID11666301
Molecular FormulaC17H30OSi
Molecular Weight278.51 g/mol
Exact Mass278.21
IUPAC Name[(1aS,4aR,5R,7S,8aR)-4a-methyl-7-propan-2-yl-1a,4,5,6,7,8-hexahydronaphtho[4a,5-b]oxiren-5-yl]-trimethylsilane
SMILESCC(C)[C@@H]1C[C@@H]([Si](C)(C)C)[C@]2(C)CC=C[C@@H]3O[C@@]32C1
InChIInChI=1S/C17H30OSi/c1-12(2)13-10-15(19(4,5)6)16(3)9-7-8-14-17(16,11-13)18-14/h7-8,12-15H,9-11H2,1-6H3/t13-,14+,15-,16+,17+/m1/s1
InChIKeyPQIKCVHMDFMKBP-ALYAQQCSSA-N
XLogP4.86
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.51
LogP ≤ 54.86
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1aS,4aR,5R,7S,8aR)-4a-methyl-7-propan-2-yl-1a,4,5,6,7,8-hexahydronaphtho[4a,5-b]oxiren-5-yl]-trimethylsilane?
The IUPAC name of [(1aS,4aR,5R,7S,8aR)-4a-methyl-7-propan-2-yl-1a,4,5,6,7,8-hexahydronaphtho[4a,5-b]oxiren-5-yl]-trimethylsilane (CID 11666301) is [(1aS,4aR,5R,7S,8aR)-4a-methyl-7-propan-2-yl-1a,4,5,6,7,8-hexahydronaphtho[4a,5-b]oxiren-5-yl]-trimethylsilane.
What is the SMILES notation for [(1aS,4aR,5R,7S,8aR)-4a-methyl-7-propan-2-yl-1a,4,5,6,7,8-hexahydronaphtho[4a,5-b]oxiren-5-yl]-trimethylsilane?
The canonical SMILES for [(1aS,4aR,5R,7S,8aR)-4a-methyl-7-propan-2-yl-1a,4,5,6,7,8-hexahydronaphtho[4a,5-b]oxiren-5-yl]-trimethylsilane is CC(C)[C@@H]1C[C@@H]([Si](C)(C)C)[C@]2(C)CC=C[C@@H]3O[C@@]32C1.
What is the InChIKey of [(1aS,4aR,5R,7S,8aR)-4a-methyl-7-propan-2-yl-1a,4,5,6,7,8-hexahydronaphtho[4a,5-b]oxiren-5-yl]-trimethylsilane?
The InChIKey is PQIKCVHMDFMKBP-ALYAQQCSSA-N. The full InChI is InChI=1S/C17H30OSi/c1-12(2)13-10-15(19(4,5)6)16(3)9-7-8-14-17(16,11-13)18-14/h7-8,12-15H,9-11H2,1-6H3/t13-,14+,15-,16+,17+/m1/s1.
What are the key properties of [(1aS,4aR,5R,7S,8aR)-4a-methyl-7-propan-2-yl-1a,4,5,6,7,8-hexahydronaphtho[4a,5-b]oxiren-5-yl]-trimethylsilane?
[(1aS,4aR,5R,7S,8aR)-4a-methyl-7-propan-2-yl-1a,4,5,6,7,8-hexahydronaphtho[4a,5-b]oxiren-5-yl]-trimethylsilane has a molecular weight of 278.51 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1aS,4aR,5R,7S,8aR)-4a-methyl-7-propan-2-yl-1a,4,5,6,7,8-hexahydronaphtho[4a,5-b]oxiren-5-yl]-trimethylsilane is sourced from PubChem (CID 11666301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).