[(2R)-2-[(2S)-5,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-yl]oxy-tri(propan-2-yl)silane

C23H46O2Si — CID 101396453

IUPAC[(2R)-2-[(2S)-5,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)=CCC[C@@](C)(O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1CCC(C)(C)O1
InChIInChI=1S/C23H46O2Si/c1-17(2)13-12-15-23(11,21-14-16-22(9,10)24-21)25-26(18(3)4,19(5)6)20(7)8/h13,18-21H,12,14-16H2,1-11H3/t21-,23+/m0/s1
InChIKeyCRFQHCSWGWBNQF-JTHBVZDNSA-N
MW382.71 g/mol
LogP7.64
Rot. Bonds9

About [(2R)-2-[(2S)-5,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-yl]oxy-tri(propan-2-yl)silane

[(2R)-2-[(2S)-5,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-yl]oxy-tri(propan-2-yl)silane (PubChem CID 101396453) has the molecular formula C23H46O2Si and a molecular weight of 382.71 g/mol. Its IUPAC name is [(2R)-2-[(2S)-5,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2R)-2-[(2S)-5,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-yl]oxy-tri(propan-2-yl)silane
PubChem CID101396453
Molecular FormulaC23H46O2Si
Molecular Weight382.71 g/mol
Exact Mass382.33
IUPAC Name[(2R)-2-[(2S)-5,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)=CCC[C@@](C)(O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1CCC(C)(C)O1
InChIInChI=1S/C23H46O2Si/c1-17(2)13-12-15-23(11,21-14-16-22(9,10)24-21)25-26(18(3)4,19(5)6)20(7)8/h13,18-21H,12,14-16H2,1-11H3/t21-,23+/m0/s1
InChIKeyCRFQHCSWGWBNQF-JTHBVZDNSA-N
XLogP7.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.71
LogP ≤ 57.64
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 [(2R)-2-[(2S)-5,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(2R)-2-[(2S)-5,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-yl]oxy-tri(propan-2-yl)silane (CID 101396453) is [(2R)-2-[(2S)-5,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(2R)-2-[(2S)-5,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(2R)-2-[(2S)-5,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-yl]oxy-tri(propan-2-yl)silane is CC(C)=CCC[C@@](C)(O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1CCC(C)(C)O1.
What is the InChIKey of [(2R)-2-[(2S)-5,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is CRFQHCSWGWBNQF-JTHBVZDNSA-N. The full InChI is InChI=1S/C23H46O2Si/c1-17(2)13-12-15-23(11,21-14-16-22(9,10)24-21)25-26(18(3)4,19(5)6)20(7)8/h13,18-21H,12,14-16H2,1-11H3/t21-,23+/m0/s1.
What are the key properties of [(2R)-2-[(2S)-5,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-yl]oxy-tri(propan-2-yl)silane?
[(2R)-2-[(2S)-5,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 382.71 g/mol, XLogP of 7.64, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(2S)-5,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 101396453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).