(5R)-1-tri(propan-2-yl)silyltetradeca-1,3-diyn-5-ol

C23H42OSi — CID 164610642

IUPAC(5R)-1-tri(propan-2-yl)silyltetradeca-1,3-diyn-5-ol
SMILESCCCCCCCCC[C@@H](O)C#CC#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H42OSi/c1-8-9-10-11-12-13-14-17-23(24)18-15-16-19-25(20(2)3,21(4)5)22(6)7/h20-24H,8-14,17H2,1-7H3/t23-/m1/s1
InChIKeyCLLXYEPQYHPIHN-HSZRJFAPSA-N
MW362.67 g/mol
LogP6.71
Rot. Bonds11

About (5R)-1-tri(propan-2-yl)silyltetradeca-1,3-diyn-5-ol

(5R)-1-tri(propan-2-yl)silyltetradeca-1,3-diyn-5-ol (PubChem CID 164610642) has the molecular formula C23H42OSi and a molecular weight of 362.67 g/mol. Its IUPAC name is (5R)-1-tri(propan-2-yl)silyltetradeca-1,3-diyn-5-ol.

Molecular Properties

Compound Name(5R)-1-tri(propan-2-yl)silyltetradeca-1,3-diyn-5-ol
PubChem CID164610642
Molecular FormulaC23H42OSi
Molecular Weight362.67 g/mol
Exact Mass362.30
IUPAC Name(5R)-1-tri(propan-2-yl)silyltetradeca-1,3-diyn-5-ol
SMILESCCCCCCCCC[C@@H](O)C#CC#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H42OSi/c1-8-9-10-11-12-13-14-17-23(24)18-15-16-19-25(20(2)3,21(4)5)22(6)7/h20-24H,8-14,17H2,1-7H3/t23-/m1/s1
InChIKeyCLLXYEPQYHPIHN-HSZRJFAPSA-N
XLogP6.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.67
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-1-tri(propan-2-yl)silyltetradeca-1,3-diyn-5-ol?
The IUPAC name of (5R)-1-tri(propan-2-yl)silyltetradeca-1,3-diyn-5-ol (CID 164610642) is (5R)-1-tri(propan-2-yl)silyltetradeca-1,3-diyn-5-ol.
What is the SMILES notation for (5R)-1-tri(propan-2-yl)silyltetradeca-1,3-diyn-5-ol?
The canonical SMILES for (5R)-1-tri(propan-2-yl)silyltetradeca-1,3-diyn-5-ol is CCCCCCCCC[C@@H](O)C#CC#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (5R)-1-tri(propan-2-yl)silyltetradeca-1,3-diyn-5-ol?
The InChIKey is CLLXYEPQYHPIHN-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H42OSi/c1-8-9-10-11-12-13-14-17-23(24)18-15-16-19-25(20(2)3,21(4)5)22(6)7/h20-24H,8-14,17H2,1-7H3/t23-/m1/s1.
What are the key properties of (5R)-1-tri(propan-2-yl)silyltetradeca-1,3-diyn-5-ol?
(5R)-1-tri(propan-2-yl)silyltetradeca-1,3-diyn-5-ol has a molecular weight of 362.67 g/mol, XLogP of 6.71, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-tri(propan-2-yl)silyltetradeca-1,3-diyn-5-ol is sourced from PubChem (CID 164610642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).