[(2S)-2-[(3Z,4R,5S)-4-methyl-3-pentylidene-2,2-di(propan-2-yl)oxasilolan-5-yl]propoxy]-tri(propan-2-yl)silane

C27H56O2Si2 — CID 11397220

IUPAC[(2S)-2-[(3Z,4R,5S)-4-methyl-3-pentylidene-2,2-di(propan-2-yl)oxasilolan-5-yl]propoxy]-tri(propan-2-yl)silane
SMILESCCCC/C=C1/[C@H](C)[C@H]([C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)O[Si]1(C(C)C)C(C)C
InChIInChI=1S/C27H56O2Si2/c1-14-15-16-17-26-25(13)27(29-31(26,22(8)9)23(10)11)24(12)18-28-30(19(2)3,20(4)5)21(6)7/h17,19-25,27H,14-16,18H2,1-13H3/b26-17-/t24-,25-,27-/m0/s1
InChIKeySOVKOGGCBCDQHJ-BAHMZZKPSA-N
MW468.92 g/mol
LogP9.27
Rot. Bonds12

About [(2S)-2-[(3Z,4R,5S)-4-methyl-3-pentylidene-2,2-di(propan-2-yl)oxasilolan-5-yl]propoxy]-tri(propan-2-yl)silane

[(2S)-2-[(3Z,4R,5S)-4-methyl-3-pentylidene-2,2-di(propan-2-yl)oxasilolan-5-yl]propoxy]-tri(propan-2-yl)silane (PubChem CID 11397220) has the molecular formula C27H56O2Si2 and a molecular weight of 468.92 g/mol. Its IUPAC name is [(2S)-2-[(3Z,4R,5S)-4-methyl-3-pentylidene-2,2-di(propan-2-yl)oxasilolan-5-yl]propoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2S)-2-[(3Z,4R,5S)-4-methyl-3-pentylidene-2,2-di(propan-2-yl)oxasilolan-5-yl]propoxy]-tri(propan-2-yl)silane
PubChem CID11397220
Molecular FormulaC27H56O2Si2
Molecular Weight468.92 g/mol
Exact Mass468.38
IUPAC Name[(2S)-2-[(3Z,4R,5S)-4-methyl-3-pentylidene-2,2-di(propan-2-yl)oxasilolan-5-yl]propoxy]-tri(propan-2-yl)silane
SMILESCCCC/C=C1/[C@H](C)[C@H]([C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)O[Si]1(C(C)C)C(C)C
InChIInChI=1S/C27H56O2Si2/c1-14-15-16-17-26-25(13)27(29-31(26,22(8)9)23(10)11)24(12)18-28-30(19(2)3,20(4)5)21(6)7/h17,19-25,27H,14-16,18H2,1-13H3/b26-17-/t24-,25-,27-/m0/s1
InChIKeySOVKOGGCBCDQHJ-BAHMZZKPSA-N
XLogP9.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.92
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(3Z,4R,5S)-4-methyl-3-pentylidene-2,2-di(propan-2-yl)oxasilolan-5-yl]propoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(2S)-2-[(3Z,4R,5S)-4-methyl-3-pentylidene-2,2-di(propan-2-yl)oxasilolan-5-yl]propoxy]-tri(propan-2-yl)silane (CID 11397220) is [(2S)-2-[(3Z,4R,5S)-4-methyl-3-pentylidene-2,2-di(propan-2-yl)oxasilolan-5-yl]propoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(2S)-2-[(3Z,4R,5S)-4-methyl-3-pentylidene-2,2-di(propan-2-yl)oxasilolan-5-yl]propoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(2S)-2-[(3Z,4R,5S)-4-methyl-3-pentylidene-2,2-di(propan-2-yl)oxasilolan-5-yl]propoxy]-tri(propan-2-yl)silane is CCCC/C=C1/[C@H](C)[C@H]([C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)O[Si]1(C(C)C)C(C)C.
What is the InChIKey of [(2S)-2-[(3Z,4R,5S)-4-methyl-3-pentylidene-2,2-di(propan-2-yl)oxasilolan-5-yl]propoxy]-tri(propan-2-yl)silane?
The InChIKey is SOVKOGGCBCDQHJ-BAHMZZKPSA-N. The full InChI is InChI=1S/C27H56O2Si2/c1-14-15-16-17-26-25(13)27(29-31(26,22(8)9)23(10)11)24(12)18-28-30(19(2)3,20(4)5)21(6)7/h17,19-25,27H,14-16,18H2,1-13H3/b26-17-/t24-,25-,27-/m0/s1.
What are the key properties of [(2S)-2-[(3Z,4R,5S)-4-methyl-3-pentylidene-2,2-di(propan-2-yl)oxasilolan-5-yl]propoxy]-tri(propan-2-yl)silane?
[(2S)-2-[(3Z,4R,5S)-4-methyl-3-pentylidene-2,2-di(propan-2-yl)oxasilolan-5-yl]propoxy]-tri(propan-2-yl)silane has a molecular weight of 468.92 g/mol, XLogP of 9.27, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(3Z,4R,5S)-4-methyl-3-pentylidene-2,2-di(propan-2-yl)oxasilolan-5-yl]propoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 11397220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).