(1S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-ol

C16H28OSi — CID 11459757

IUPAC(1S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-ol
SMILESCC(C)[Si](C#CC1=C[C@@H](O)CC1)(C(C)C)C(C)C
InChIInChI=1S/C16H28OSi/c1-12(2)18(13(3)4,14(5)6)10-9-15-7-8-16(17)11-15/h11-14,16-17H,7-8H2,1-6H3/t16-/m0/s1
InChIKeyXZQNVERDKBLROF-INIZCTEOSA-N
MW264.48 g/mol
LogP4.29
Rot. Bonds3

About (1S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-ol

(1S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-ol (PubChem CID 11459757) has the molecular formula C16H28OSi and a molecular weight of 264.48 g/mol. Its IUPAC name is (1S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-ol
PubChem CID11459757
Molecular FormulaC16H28OSi
Molecular Weight264.48 g/mol
Exact Mass264.19
IUPAC Name(1S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-ol
SMILESCC(C)[Si](C#CC1=C[C@@H](O)CC1)(C(C)C)C(C)C
InChIInChI=1S/C16H28OSi/c1-12(2)18(13(3)4,14(5)6)10-9-15-7-8-16(17)11-15/h11-14,16-17H,7-8H2,1-6H3/t16-/m0/s1
InChIKeyXZQNVERDKBLROF-INIZCTEOSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.48
LogP ≤ 54.29
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 (1S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-ol?
The IUPAC name of (1S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-ol (CID 11459757) is (1S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-ol.
What is the SMILES notation for (1S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-ol?
The canonical SMILES for (1S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-ol is CC(C)[Si](C#CC1=C[C@@H](O)CC1)(C(C)C)C(C)C.
What is the InChIKey of (1S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-ol?
The InChIKey is XZQNVERDKBLROF-INIZCTEOSA-N. The full InChI is InChI=1S/C16H28OSi/c1-12(2)18(13(3)4,14(5)6)10-9-15-7-8-16(17)11-15/h11-14,16-17H,7-8H2,1-6H3/t16-/m0/s1.
What are the key properties of (1S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-ol?
(1S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-ol has a molecular weight of 264.48 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-ol is sourced from PubChem (CID 11459757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).