[(2S,5R)-5-[(2R,5R)-5-cyclohexyloxolan-2-yl]-2-ethenyl-2,5-dihydrofuran-3-yl]-trimethylsilane

C19H32O2Si — CID 11198013

IUPAC[(2S,5R)-5-[(2R,5R)-5-cyclohexyloxolan-2-yl]-2-ethenyl-2,5-dihydrofuran-3-yl]-trimethylsilane
SMILESC=C[C@@H]1O[C@@H]([C@H]2CC[C@H](C3CCCCC3)O2)C=C1[Si](C)(C)C
InChIInChI=1S/C19H32O2Si/c1-5-15-19(22(2,3)4)13-18(20-15)17-12-11-16(21-17)14-9-7-6-8-10-14/h5,13-18H,1,6-12H2,2-4H3/t15-,16+,17+,18+/m0/s1
InChIKeyCXNBPFJIGOABKF-BSDSXHPESA-N
MW320.55 g/mol
LogP4.87
Rot. Bonds4

About [(2S,5R)-5-[(2R,5R)-5-cyclohexyloxolan-2-yl]-2-ethenyl-2,5-dihydrofuran-3-yl]-trimethylsilane

[(2S,5R)-5-[(2R,5R)-5-cyclohexyloxolan-2-yl]-2-ethenyl-2,5-dihydrofuran-3-yl]-trimethylsilane (PubChem CID 11198013) has the molecular formula C19H32O2Si and a molecular weight of 320.55 g/mol. Its IUPAC name is [(2S,5R)-5-[(2R,5R)-5-cyclohexyloxolan-2-yl]-2-ethenyl-2,5-dihydrofuran-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[(2S,5R)-5-[(2R,5R)-5-cyclohexyloxolan-2-yl]-2-ethenyl-2,5-dihydrofuran-3-yl]-trimethylsilane
PubChem CID11198013
Molecular FormulaC19H32O2Si
Molecular Weight320.55 g/mol
Exact Mass320.22
IUPAC Name[(2S,5R)-5-[(2R,5R)-5-cyclohexyloxolan-2-yl]-2-ethenyl-2,5-dihydrofuran-3-yl]-trimethylsilane
SMILESC=C[C@@H]1O[C@@H]([C@H]2CC[C@H](C3CCCCC3)O2)C=C1[Si](C)(C)C
InChIInChI=1S/C19H32O2Si/c1-5-15-19(22(2,3)4)13-18(20-15)17-12-11-16(21-17)14-9-7-6-8-10-14/h5,13-18H,1,6-12H2,2-4H3/t15-,16+,17+,18+/m0/s1
InChIKeyCXNBPFJIGOABKF-BSDSXHPESA-N
XLogP4.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.55
LogP ≤ 54.87
H-Bond Donors ≤ 50
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 [(2S,5R)-5-[(2R,5R)-5-cyclohexyloxolan-2-yl]-2-ethenyl-2,5-dihydrofuran-3-yl]-trimethylsilane?
The IUPAC name of [(2S,5R)-5-[(2R,5R)-5-cyclohexyloxolan-2-yl]-2-ethenyl-2,5-dihydrofuran-3-yl]-trimethylsilane (CID 11198013) is [(2S,5R)-5-[(2R,5R)-5-cyclohexyloxolan-2-yl]-2-ethenyl-2,5-dihydrofuran-3-yl]-trimethylsilane.
What is the SMILES notation for [(2S,5R)-5-[(2R,5R)-5-cyclohexyloxolan-2-yl]-2-ethenyl-2,5-dihydrofuran-3-yl]-trimethylsilane?
The canonical SMILES for [(2S,5R)-5-[(2R,5R)-5-cyclohexyloxolan-2-yl]-2-ethenyl-2,5-dihydrofuran-3-yl]-trimethylsilane is C=C[C@@H]1O[C@@H]([C@H]2CC[C@H](C3CCCCC3)O2)C=C1[Si](C)(C)C.
What is the InChIKey of [(2S,5R)-5-[(2R,5R)-5-cyclohexyloxolan-2-yl]-2-ethenyl-2,5-dihydrofuran-3-yl]-trimethylsilane?
The InChIKey is CXNBPFJIGOABKF-BSDSXHPESA-N. The full InChI is InChI=1S/C19H32O2Si/c1-5-15-19(22(2,3)4)13-18(20-15)17-12-11-16(21-17)14-9-7-6-8-10-14/h5,13-18H,1,6-12H2,2-4H3/t15-,16+,17+,18+/m0/s1.
What are the key properties of [(2S,5R)-5-[(2R,5R)-5-cyclohexyloxolan-2-yl]-2-ethenyl-2,5-dihydrofuran-3-yl]-trimethylsilane?
[(2S,5R)-5-[(2R,5R)-5-cyclohexyloxolan-2-yl]-2-ethenyl-2,5-dihydrofuran-3-yl]-trimethylsilane has a molecular weight of 320.55 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-[(2R,5R)-5-cyclohexyloxolan-2-yl]-2-ethenyl-2,5-dihydrofuran-3-yl]-trimethylsilane is sourced from PubChem (CID 11198013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).