[(4S)-4-hydroxy-5-tri(propan-2-yl)silyloxypentyl] 2,2-dimethylpropanoate

C19H40O4Si — CID 10473709

IUPAC[(4S)-4-hydroxy-5-tri(propan-2-yl)silyloxypentyl] 2,2-dimethylpropanoate
SMILESCC(C)[Si](OC[C@@H](O)CCCOC(=O)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H40O4Si/c1-14(2)24(15(3)4,16(5)6)23-13-17(20)11-10-12-22-18(21)19(7,8)9/h14-17,20H,10-13H2,1-9H3/t17-/m0/s1
InChIKeyMJPBXGUJWLPDEE-KRWDZBQOSA-N
MW360.61 g/mol
LogP4.91
Rot. Bonds10

About [(4S)-4-hydroxy-5-tri(propan-2-yl)silyloxypentyl] 2,2-dimethylpropanoate

[(4S)-4-hydroxy-5-tri(propan-2-yl)silyloxypentyl] 2,2-dimethylpropanoate (PubChem CID 10473709) has the molecular formula C19H40O4Si and a molecular weight of 360.61 g/mol. Its IUPAC name is [(4S)-4-hydroxy-5-tri(propan-2-yl)silyloxypentyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(4S)-4-hydroxy-5-tri(propan-2-yl)silyloxypentyl] 2,2-dimethylpropanoate
PubChem CID10473709
Molecular FormulaC19H40O4Si
Molecular Weight360.61 g/mol
Exact Mass360.27
IUPAC Name[(4S)-4-hydroxy-5-tri(propan-2-yl)silyloxypentyl] 2,2-dimethylpropanoate
SMILESCC(C)[Si](OC[C@@H](O)CCCOC(=O)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H40O4Si/c1-14(2)24(15(3)4,16(5)6)23-13-17(20)11-10-12-22-18(21)19(7,8)9/h14-17,20H,10-13H2,1-9H3/t17-/m0/s1
InChIKeyMJPBXGUJWLPDEE-KRWDZBQOSA-N
XLogP4.91
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.61
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [(4S)-4-hydroxy-5-tri(propan-2-yl)silyloxypentyl] 2,2-dimethylpropanoate?
The IUPAC name of [(4S)-4-hydroxy-5-tri(propan-2-yl)silyloxypentyl] 2,2-dimethylpropanoate (CID 10473709) is [(4S)-4-hydroxy-5-tri(propan-2-yl)silyloxypentyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(4S)-4-hydroxy-5-tri(propan-2-yl)silyloxypentyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(4S)-4-hydroxy-5-tri(propan-2-yl)silyloxypentyl] 2,2-dimethylpropanoate is CC(C)[Si](OC[C@@H](O)CCCOC(=O)C(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(4S)-4-hydroxy-5-tri(propan-2-yl)silyloxypentyl] 2,2-dimethylpropanoate?
The InChIKey is MJPBXGUJWLPDEE-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H40O4Si/c1-14(2)24(15(3)4,16(5)6)23-13-17(20)11-10-12-22-18(21)19(7,8)9/h14-17,20H,10-13H2,1-9H3/t17-/m0/s1.
What are the key properties of [(4S)-4-hydroxy-5-tri(propan-2-yl)silyloxypentyl] 2,2-dimethylpropanoate?
[(4S)-4-hydroxy-5-tri(propan-2-yl)silyloxypentyl] 2,2-dimethylpropanoate has a molecular weight of 360.61 g/mol, XLogP of 4.91, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-hydroxy-5-tri(propan-2-yl)silyloxypentyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 10473709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).