[(E)-3-[(1R,2R,5R)-2-hexyl-3-oxabicyclo[3.1.0]hexan-1-yl]prop-2-enyl]-trimethylsilane

C17H32OSi — CID 15657325

IUPAC[(E)-3-[(1R,2R,5R)-2-hexyl-3-oxabicyclo[3.1.0]hexan-1-yl]prop-2-enyl]-trimethylsilane
SMILESCCCCCC[C@H]1OC[C@@H]2C[C@@]21/C=C/C[Si](C)(C)C
InChIInChI=1S/C17H32OSi/c1-5-6-7-8-10-16-17(13-15(17)14-18-16)11-9-12-19(2,3)4/h9,11,15-16H,5-8,10,12-14H2,1-4H3/b11-9+/t15-,16+,17-/m0/s1
InChIKeySUCMBHCLNNUGFI-DQWVTDRNSA-N
MW280.53 g/mol
LogP5.26
Rot. Bonds8

About [(E)-3-[(1R,2R,5R)-2-hexyl-3-oxabicyclo[3.1.0]hexan-1-yl]prop-2-enyl]-trimethylsilane

[(E)-3-[(1R,2R,5R)-2-hexyl-3-oxabicyclo[3.1.0]hexan-1-yl]prop-2-enyl]-trimethylsilane (PubChem CID 15657325) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is [(E)-3-[(1R,2R,5R)-2-hexyl-3-oxabicyclo[3.1.0]hexan-1-yl]prop-2-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-3-[(1R,2R,5R)-2-hexyl-3-oxabicyclo[3.1.0]hexan-1-yl]prop-2-enyl]-trimethylsilane
PubChem CID15657325
Molecular FormulaC17H32OSi
Molecular Weight280.53 g/mol
Exact Mass280.22
IUPAC Name[(E)-3-[(1R,2R,5R)-2-hexyl-3-oxabicyclo[3.1.0]hexan-1-yl]prop-2-enyl]-trimethylsilane
SMILESCCCCCC[C@H]1OC[C@@H]2C[C@@]21/C=C/C[Si](C)(C)C
InChIInChI=1S/C17H32OSi/c1-5-6-7-8-10-16-17(13-15(17)14-18-16)11-9-12-19(2,3)4/h9,11,15-16H,5-8,10,12-14H2,1-4H3/b11-9+/t15-,16+,17-/m0/s1
InChIKeySUCMBHCLNNUGFI-DQWVTDRNSA-N
XLogP5.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.53
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 [(E)-3-[(1R,2R,5R)-2-hexyl-3-oxabicyclo[3.1.0]hexan-1-yl]prop-2-enyl]-trimethylsilane?
The IUPAC name of [(E)-3-[(1R,2R,5R)-2-hexyl-3-oxabicyclo[3.1.0]hexan-1-yl]prop-2-enyl]-trimethylsilane (CID 15657325) is [(E)-3-[(1R,2R,5R)-2-hexyl-3-oxabicyclo[3.1.0]hexan-1-yl]prop-2-enyl]-trimethylsilane.
What is the SMILES notation for [(E)-3-[(1R,2R,5R)-2-hexyl-3-oxabicyclo[3.1.0]hexan-1-yl]prop-2-enyl]-trimethylsilane?
The canonical SMILES for [(E)-3-[(1R,2R,5R)-2-hexyl-3-oxabicyclo[3.1.0]hexan-1-yl]prop-2-enyl]-trimethylsilane is CCCCCC[C@H]1OC[C@@H]2C[C@@]21/C=C/C[Si](C)(C)C.
What is the InChIKey of [(E)-3-[(1R,2R,5R)-2-hexyl-3-oxabicyclo[3.1.0]hexan-1-yl]prop-2-enyl]-trimethylsilane?
The InChIKey is SUCMBHCLNNUGFI-DQWVTDRNSA-N. The full InChI is InChI=1S/C17H32OSi/c1-5-6-7-8-10-16-17(13-15(17)14-18-16)11-9-12-19(2,3)4/h9,11,15-16H,5-8,10,12-14H2,1-4H3/b11-9+/t15-,16+,17-/m0/s1.
What are the key properties of [(E)-3-[(1R,2R,5R)-2-hexyl-3-oxabicyclo[3.1.0]hexan-1-yl]prop-2-enyl]-trimethylsilane?
[(E)-3-[(1R,2R,5R)-2-hexyl-3-oxabicyclo[3.1.0]hexan-1-yl]prop-2-enyl]-trimethylsilane has a molecular weight of 280.53 g/mol, XLogP of 5.26, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[(1R,2R,5R)-2-hexyl-3-oxabicyclo[3.1.0]hexan-1-yl]prop-2-enyl]-trimethylsilane is sourced from PubChem (CID 15657325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).