[(2E)-2-[(5S,7aR)-7a-methyl-5-prop-2-ynoxy-3,5,6,7-tetrahydro-2H-inden-1-ylidene]ethyl]-trimethylsilane

C18H28OSi — CID 71475277

IUPAC[(2E)-2-[(5S,7aR)-7a-methyl-5-prop-2-ynoxy-3,5,6,7-tetrahydro-2H-inden-1-ylidene]ethyl]-trimethylsilane
SMILESC#CCO[C@@H]1C=C2CC/C(=C\C[Si](C)(C)C)[C@]2(C)CC1
InChIInChI=1S/C18H28OSi/c1-6-12-19-17-9-11-18(2)15(7-8-16(18)14-17)10-13-20(3,4)5/h1,10,14,17H,7-9,11-13H2,2-5H3/b15-10+/t17-,18-/m0/s1
InChIKeyOWWUZBMDGJQKOY-WOVXLNPSSA-N
MW288.51 g/mol
LogP4.79
Rot. Bonds4

About [(2E)-2-[(5S,7aR)-7a-methyl-5-prop-2-ynoxy-3,5,6,7-tetrahydro-2H-inden-1-ylidene]ethyl]-trimethylsilane

[(2E)-2-[(5S,7aR)-7a-methyl-5-prop-2-ynoxy-3,5,6,7-tetrahydro-2H-inden-1-ylidene]ethyl]-trimethylsilane (PubChem CID 71475277) has the molecular formula C18H28OSi and a molecular weight of 288.51 g/mol. Its IUPAC name is [(2E)-2-[(5S,7aR)-7a-methyl-5-prop-2-ynoxy-3,5,6,7-tetrahydro-2H-inden-1-ylidene]ethyl]-trimethylsilane.

Molecular Properties

Compound Name[(2E)-2-[(5S,7aR)-7a-methyl-5-prop-2-ynoxy-3,5,6,7-tetrahydro-2H-inden-1-ylidene]ethyl]-trimethylsilane
PubChem CID71475277
Molecular FormulaC18H28OSi
Molecular Weight288.51 g/mol
Exact Mass288.19
IUPAC Name[(2E)-2-[(5S,7aR)-7a-methyl-5-prop-2-ynoxy-3,5,6,7-tetrahydro-2H-inden-1-ylidene]ethyl]-trimethylsilane
SMILESC#CCO[C@@H]1C=C2CC/C(=C\C[Si](C)(C)C)[C@]2(C)CC1
InChIInChI=1S/C18H28OSi/c1-6-12-19-17-9-11-18(2)15(7-8-16(18)14-17)10-13-20(3,4)5/h1,10,14,17H,7-9,11-13H2,2-5H3/b15-10+/t17-,18-/m0/s1
InChIKeyOWWUZBMDGJQKOY-WOVXLNPSSA-N
XLogP4.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.51
LogP ≤ 54.79
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl-dimethyl-[(2,6,6-trimethyl-3-prop-2-ynoxycyclohexen-1-yl)methoxy]silane
CID 11034638
3-[[(1E,5S,7aR)-7a-methyl-1-(2-trimethylsilylethylidene)-3,5,6,7-tetrahydro-2H-inden-5-yl]oxy]prop-1-ynyl-trimethylsilane
CID 71475278
[(1R,5S,7aR)-7a-methyl-5-prop-2-ynoxy-1,2,3,5,6,7-hexahydroinden-1-yl]oxy-tert-butyl-dimethylsilane
CID 132938706

Frequently Asked Questions

What is the IUPAC name of [(2E)-2-[(5S,7aR)-7a-methyl-5-prop-2-ynoxy-3,5,6,7-tetrahydro-2H-inden-1-ylidene]ethyl]-trimethylsilane?
The IUPAC name of [(2E)-2-[(5S,7aR)-7a-methyl-5-prop-2-ynoxy-3,5,6,7-tetrahydro-2H-inden-1-ylidene]ethyl]-trimethylsilane (CID 71475277) is [(2E)-2-[(5S,7aR)-7a-methyl-5-prop-2-ynoxy-3,5,6,7-tetrahydro-2H-inden-1-ylidene]ethyl]-trimethylsilane.
What is the SMILES notation for [(2E)-2-[(5S,7aR)-7a-methyl-5-prop-2-ynoxy-3,5,6,7-tetrahydro-2H-inden-1-ylidene]ethyl]-trimethylsilane?
The canonical SMILES for [(2E)-2-[(5S,7aR)-7a-methyl-5-prop-2-ynoxy-3,5,6,7-tetrahydro-2H-inden-1-ylidene]ethyl]-trimethylsilane is C#CCO[C@@H]1C=C2CC/C(=C\C[Si](C)(C)C)[C@]2(C)CC1.
What is the InChIKey of [(2E)-2-[(5S,7aR)-7a-methyl-5-prop-2-ynoxy-3,5,6,7-tetrahydro-2H-inden-1-ylidene]ethyl]-trimethylsilane?
The InChIKey is OWWUZBMDGJQKOY-WOVXLNPSSA-N. The full InChI is InChI=1S/C18H28OSi/c1-6-12-19-17-9-11-18(2)15(7-8-16(18)14-17)10-13-20(3,4)5/h1,10,14,17H,7-9,11-13H2,2-5H3/b15-10+/t17-,18-/m0/s1.
What are the key properties of [(2E)-2-[(5S,7aR)-7a-methyl-5-prop-2-ynoxy-3,5,6,7-tetrahydro-2H-inden-1-ylidene]ethyl]-trimethylsilane?
[(2E)-2-[(5S,7aR)-7a-methyl-5-prop-2-ynoxy-3,5,6,7-tetrahydro-2H-inden-1-ylidene]ethyl]-trimethylsilane has a molecular weight of 288.51 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-[(5S,7aR)-7a-methyl-5-prop-2-ynoxy-3,5,6,7-tetrahydro-2H-inden-1-ylidene]ethyl]-trimethylsilane is sourced from PubChem (CID 71475277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).