(1S)-1-cyclopentyl-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol

C19H32OSi — CID 164617863

IUPAC(1S)-1-cyclopentyl-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol
SMILESCC(C)[Si](C#CC#C[C@@H](O)C1CCCC1)(C(C)C)C(C)C
InChIInChI=1S/C19H32OSi/c1-15(2)21(16(3)4,17(5)6)14-10-9-13-19(20)18-11-7-8-12-18/h15-20H,7-8,11-12H2,1-6H3/t19-/m1/s1
InChIKeyXPEFVNQYYBGIOQ-LJQANCHMSA-N
MW304.55 g/mol
LogP4.76
Rot. Bonds4

About (1S)-1-cyclopentyl-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol

(1S)-1-cyclopentyl-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol (PubChem CID 164617863) has the molecular formula C19H32OSi and a molecular weight of 304.55 g/mol. Its IUPAC name is (1S)-1-cyclopentyl-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol.

Molecular Properties

Compound Name(1S)-1-cyclopentyl-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol
PubChem CID164617863
Molecular FormulaC19H32OSi
Molecular Weight304.55 g/mol
Exact Mass304.22
IUPAC Name(1S)-1-cyclopentyl-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol
SMILESCC(C)[Si](C#CC#C[C@@H](O)C1CCCC1)(C(C)C)C(C)C
InChIInChI=1S/C19H32OSi/c1-15(2)21(16(3)4,17(5)6)14-10-9-13-19(20)18-11-7-8-12-18/h15-20H,7-8,11-12H2,1-6H3/t19-/m1/s1
InChIKeyXPEFVNQYYBGIOQ-LJQANCHMSA-N
XLogP4.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.55
LogP ≤ 54.76
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 (1S)-1-cyclopentyl-5-tri(propan-2-yl)silylpenta-2,4-diyn-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 (1S)-1-cyclopentyl-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol?
The IUPAC name of (1S)-1-cyclopentyl-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol (CID 164617863) is (1S)-1-cyclopentyl-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol.
What is the SMILES notation for (1S)-1-cyclopentyl-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol?
The canonical SMILES for (1S)-1-cyclopentyl-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol is CC(C)[Si](C#CC#C[C@@H](O)C1CCCC1)(C(C)C)C(C)C.
What is the InChIKey of (1S)-1-cyclopentyl-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol?
The InChIKey is XPEFVNQYYBGIOQ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H32OSi/c1-15(2)21(16(3)4,17(5)6)14-10-9-13-19(20)18-11-7-8-12-18/h15-20H,7-8,11-12H2,1-6H3/t19-/m1/s1.
What are the key properties of (1S)-1-cyclopentyl-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol?
(1S)-1-cyclopentyl-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol has a molecular weight of 304.55 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclopentyl-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol is sourced from PubChem (CID 164617863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).