[(2S,3R,4S,5R)-2,4-dimethyl-5-propan-2-yloxolan-3-yl]-dimethyl-phenylsilane

C17H28OSi — CID 101226731

IUPAC[(2S,3R,4S,5R)-2,4-dimethyl-5-propan-2-yloxolan-3-yl]-dimethyl-phenylsilane
SMILESCC(C)[C@H]1O[C@@H](C)[C@H]([Si](C)(C)c2ccccc2)[C@H]1C
InChIInChI=1S/C17H28OSi/c1-12(2)16-13(3)17(14(4)18-16)19(5,6)15-10-8-7-9-11-15/h7-14,16-17H,1-6H3/t13-,14-,16+,17+/m0/s1
InChIKeyZTICFPIBWWUROU-XJNFMUPTSA-N
MW276.50 g/mol
LogP4.05
Rot. Bonds3

About [(2S,3R,4S,5R)-2,4-dimethyl-5-propan-2-yloxolan-3-yl]-dimethyl-phenylsilane

[(2S,3R,4S,5R)-2,4-dimethyl-5-propan-2-yloxolan-3-yl]-dimethyl-phenylsilane (PubChem CID 101226731) has the molecular formula C17H28OSi and a molecular weight of 276.50 g/mol. Its IUPAC name is [(2S,3R,4S,5R)-2,4-dimethyl-5-propan-2-yloxolan-3-yl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[(2S,3R,4S,5R)-2,4-dimethyl-5-propan-2-yloxolan-3-yl]-dimethyl-phenylsilane
PubChem CID101226731
Molecular FormulaC17H28OSi
Molecular Weight276.50 g/mol
Exact Mass276.19
IUPAC Name[(2S,3R,4S,5R)-2,4-dimethyl-5-propan-2-yloxolan-3-yl]-dimethyl-phenylsilane
SMILESCC(C)[C@H]1O[C@@H](C)[C@H]([Si](C)(C)c2ccccc2)[C@H]1C
InChIInChI=1S/C17H28OSi/c1-12(2)16-13(3)17(14(4)18-16)19(5,6)15-10-8-7-9-11-15/h7-14,16-17H,1-6H3/t13-,14-,16+,17+/m0/s1
InChIKeyZTICFPIBWWUROU-XJNFMUPTSA-N
XLogP4.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.50
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4S,5R)-2,4-dimethyl-5-propan-2-yloxolan-3-yl]-dimethyl-phenylsilane?
The IUPAC name of [(2S,3R,4S,5R)-2,4-dimethyl-5-propan-2-yloxolan-3-yl]-dimethyl-phenylsilane (CID 101226731) is [(2S,3R,4S,5R)-2,4-dimethyl-5-propan-2-yloxolan-3-yl]-dimethyl-phenylsilane.
What is the SMILES notation for [(2S,3R,4S,5R)-2,4-dimethyl-5-propan-2-yloxolan-3-yl]-dimethyl-phenylsilane?
The canonical SMILES for [(2S,3R,4S,5R)-2,4-dimethyl-5-propan-2-yloxolan-3-yl]-dimethyl-phenylsilane is CC(C)[C@H]1O[C@@H](C)[C@H]([Si](C)(C)c2ccccc2)[C@H]1C.
What is the InChIKey of [(2S,3R,4S,5R)-2,4-dimethyl-5-propan-2-yloxolan-3-yl]-dimethyl-phenylsilane?
The InChIKey is ZTICFPIBWWUROU-XJNFMUPTSA-N. The full InChI is InChI=1S/C17H28OSi/c1-12(2)16-13(3)17(14(4)18-16)19(5,6)15-10-8-7-9-11-15/h7-14,16-17H,1-6H3/t13-,14-,16+,17+/m0/s1.
What are the key properties of [(2S,3R,4S,5R)-2,4-dimethyl-5-propan-2-yloxolan-3-yl]-dimethyl-phenylsilane?
[(2S,3R,4S,5R)-2,4-dimethyl-5-propan-2-yloxolan-3-yl]-dimethyl-phenylsilane has a molecular weight of 276.50 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4S,5R)-2,4-dimethyl-5-propan-2-yloxolan-3-yl]-dimethyl-phenylsilane is sourced from PubChem (CID 101226731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).