(2R)-6-tri(propan-2-yl)silylhexa-3,5-diyn-2-ol

C15H26OSi — CID 102451588

IUPAC(2R)-6-tri(propan-2-yl)silylhexa-3,5-diyn-2-ol
SMILESCC(C)[Si](C#CC#C[C@@H](C)O)(C(C)C)C(C)C
InChIInChI=1S/C15H26OSi/c1-12(2)17(13(3)4,14(5)6)11-9-8-10-15(7)16/h12-16H,1-7H3/t15-/m1/s1
InChIKeyDQLCPXKREIHDAB-OAHLLOKOSA-N
MW250.46 g/mol
LogP3.59
Rot. Bonds3

About (2R)-6-tri(propan-2-yl)silylhexa-3,5-diyn-2-ol

(2R)-6-tri(propan-2-yl)silylhexa-3,5-diyn-2-ol (PubChem CID 102451588) has the molecular formula C15H26OSi and a molecular weight of 250.46 g/mol. Its IUPAC name is (2R)-6-tri(propan-2-yl)silylhexa-3,5-diyn-2-ol.

Molecular Properties

Compound Name(2R)-6-tri(propan-2-yl)silylhexa-3,5-diyn-2-ol
PubChem CID102451588
Molecular FormulaC15H26OSi
Molecular Weight250.46 g/mol
Exact Mass250.18
IUPAC Name(2R)-6-tri(propan-2-yl)silylhexa-3,5-diyn-2-ol
SMILESCC(C)[Si](C#CC#C[C@@H](C)O)(C(C)C)C(C)C
InChIInChI=1S/C15H26OSi/c1-12(2)17(13(3)4,14(5)6)11-9-8-10-15(7)16/h12-16H,1-7H3/t15-/m1/s1
InChIKeyDQLCPXKREIHDAB-OAHLLOKOSA-N
XLogP3.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 (2R)-6-tri(propan-2-yl)silylhexa-3,5-diyn-2-ol?
The IUPAC name of (2R)-6-tri(propan-2-yl)silylhexa-3,5-diyn-2-ol (CID 102451588) is (2R)-6-tri(propan-2-yl)silylhexa-3,5-diyn-2-ol.
What is the SMILES notation for (2R)-6-tri(propan-2-yl)silylhexa-3,5-diyn-2-ol?
The canonical SMILES for (2R)-6-tri(propan-2-yl)silylhexa-3,5-diyn-2-ol is CC(C)[Si](C#CC#C[C@@H](C)O)(C(C)C)C(C)C.
What is the InChIKey of (2R)-6-tri(propan-2-yl)silylhexa-3,5-diyn-2-ol?
The InChIKey is DQLCPXKREIHDAB-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H26OSi/c1-12(2)17(13(3)4,14(5)6)11-9-8-10-15(7)16/h12-16H,1-7H3/t15-/m1/s1.
What are the key properties of (2R)-6-tri(propan-2-yl)silylhexa-3,5-diyn-2-ol?
(2R)-6-tri(propan-2-yl)silylhexa-3,5-diyn-2-ol has a molecular weight of 250.46 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-tri(propan-2-yl)silylhexa-3,5-diyn-2-ol is sourced from PubChem (CID 102451588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).