(3S)-1-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol

C14H24OSi — CID 138981118

IUPAC(3S)-1-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol
SMILESC#C[C@H](O)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H24OSi/c1-8-14(15)9-10-16(11(2)3,12(4)5)13(6)7/h1,11-15H,2-7H3/t14-/m0/s1
InChIKeyUDYGEYRAOSTXHC-AWEZNQCLSA-N
MW236.43 g/mol
LogP3.20
Rot. Bonds3

About (3S)-1-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol

(3S)-1-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol (PubChem CID 138981118) has the molecular formula C14H24OSi and a molecular weight of 236.43 g/mol. Its IUPAC name is (3S)-1-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol.

Molecular Properties

Compound Name(3S)-1-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol
PubChem CID138981118
Molecular FormulaC14H24OSi
Molecular Weight236.43 g/mol
Exact Mass236.16
IUPAC Name(3S)-1-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol
SMILESC#C[C@H](O)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H24OSi/c1-8-14(15)9-10-16(11(2)3,12(4)5)13(6)7/h1,11-15H,2-7H3/t14-/m0/s1
InChIKeyUDYGEYRAOSTXHC-AWEZNQCLSA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.43
LogP ≤ 53.20
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 (3S)-1-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol?
The IUPAC name of (3S)-1-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol (CID 138981118) is (3S)-1-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol.
What is the SMILES notation for (3S)-1-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol?
The canonical SMILES for (3S)-1-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol is C#C[C@H](O)C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (3S)-1-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol?
The InChIKey is UDYGEYRAOSTXHC-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H24OSi/c1-8-14(15)9-10-16(11(2)3,12(4)5)13(6)7/h1,11-15H,2-7H3/t14-/m0/s1.
What are the key properties of (3S)-1-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol?
(3S)-1-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol has a molecular weight of 236.43 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol is sourced from PubChem (CID 138981118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).