3-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]prop-2-yn-1-ol

C20H28OSi — CID 101217736

IUPAC3-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]prop-2-yn-1-ol
SMILESCC(C)[Si](C#Cc1ccc(C#CCO)cc1)(C(C)C)C(C)C
InChIInChI=1S/C20H28OSi/c1-16(2)22(17(3)4,18(5)6)15-13-20-11-9-19(10-12-20)8-7-14-21/h9-12,16-18,21H,14H2,1-6H3
InChIKeyAYSYIKVGWUVQKF-UHFFFAOYSA-N
MW312.53 g/mol
LogP4.60
Rot. Bonds3

About 3-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]prop-2-yn-1-ol

3-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]prop-2-yn-1-ol (PubChem CID 101217736) has the molecular formula C20H28OSi and a molecular weight of 312.53 g/mol. Its IUPAC name is 3-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]prop-2-yn-1-ol
PubChem CID101217736
Molecular FormulaC20H28OSi
Molecular Weight312.53 g/mol
Exact Mass312.19
IUPAC Name3-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]prop-2-yn-1-ol
SMILESCC(C)[Si](C#Cc1ccc(C#CCO)cc1)(C(C)C)C(C)C
InChIInChI=1S/C20H28OSi/c1-16(2)22(17(3)4,18(5)6)15-13-20-11-9-19(10-12-20)8-7-14-21/h9-12,16-18,21H,14H2,1-6H3
InChIKeyAYSYIKVGWUVQKF-UHFFFAOYSA-N
XLogP4.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.60
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'}

Analyze 3-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]prop-2-yn-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]prop-2-yn-1-ol (CID 101217736) is 3-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]prop-2-yn-1-ol is CC(C)[Si](C#Cc1ccc(C#CCO)cc1)(C(C)C)C(C)C.
What is the InChIKey of 3-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]prop-2-yn-1-ol?
The InChIKey is AYSYIKVGWUVQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28OSi/c1-16(2)22(17(3)4,18(5)6)15-13-20-11-9-19(10-12-20)8-7-14-21/h9-12,16-18,21H,14H2,1-6H3.
What are the key properties of 3-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]prop-2-yn-1-ol?
3-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]prop-2-yn-1-ol has a molecular weight of 312.53 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 101217736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).