(3R)-1-tri(propan-2-yl)silylpent-1-yn-3-ol

C14H28OSi — CID 11390823

IUPAC(3R)-1-tri(propan-2-yl)silylpent-1-yn-3-ol
SMILESCC[C@@H](O)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H28OSi/c1-8-14(15)9-10-16(11(2)3,12(4)5)13(6)7/h11-15H,8H2,1-7H3/t14-/m1/s1
InChIKeyNIZDJTCSUAEDFM-CQSZACIVSA-N
MW240.46 g/mol
LogP3.98
Rot. Bonds4

About (3R)-1-tri(propan-2-yl)silylpent-1-yn-3-ol

(3R)-1-tri(propan-2-yl)silylpent-1-yn-3-ol (PubChem CID 11390823) has the molecular formula C14H28OSi and a molecular weight of 240.46 g/mol. Its IUPAC name is (3R)-1-tri(propan-2-yl)silylpent-1-yn-3-ol.

Molecular Properties

Compound Name(3R)-1-tri(propan-2-yl)silylpent-1-yn-3-ol
PubChem CID11390823
Molecular FormulaC14H28OSi
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Name(3R)-1-tri(propan-2-yl)silylpent-1-yn-3-ol
SMILESCC[C@@H](O)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H28OSi/c1-8-14(15)9-10-16(11(2)3,12(4)5)13(6)7/h11-15H,8H2,1-7H3/t14-/m1/s1
InChIKeyNIZDJTCSUAEDFM-CQSZACIVSA-N
XLogP3.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.46
LogP ≤ 53.98
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 (3R)-1-tri(propan-2-yl)silylpent-1-yn-3-ol?
The IUPAC name of (3R)-1-tri(propan-2-yl)silylpent-1-yn-3-ol (CID 11390823) is (3R)-1-tri(propan-2-yl)silylpent-1-yn-3-ol.
What is the SMILES notation for (3R)-1-tri(propan-2-yl)silylpent-1-yn-3-ol?
The canonical SMILES for (3R)-1-tri(propan-2-yl)silylpent-1-yn-3-ol is CC[C@@H](O)C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (3R)-1-tri(propan-2-yl)silylpent-1-yn-3-ol?
The InChIKey is NIZDJTCSUAEDFM-CQSZACIVSA-N. The full InChI is InChI=1S/C14H28OSi/c1-8-14(15)9-10-16(11(2)3,12(4)5)13(6)7/h11-15H,8H2,1-7H3/t14-/m1/s1.
What are the key properties of (3R)-1-tri(propan-2-yl)silylpent-1-yn-3-ol?
(3R)-1-tri(propan-2-yl)silylpent-1-yn-3-ol has a molecular weight of 240.46 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-tri(propan-2-yl)silylpent-1-yn-3-ol is sourced from PubChem (CID 11390823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).