(E)-1,5-bis[tri(propan-2-yl)silyl]pent-1-en-4-yn-3-ol

C23H46OSi2 — CID 134883125

IUPAC(E)-1,5-bis[tri(propan-2-yl)silyl]pent-1-en-4-yn-3-ol
SMILESCC(C)[Si](C#CC(O)/C=C/[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H46OSi2/c1-17(2)25(18(3)4,19(5)6)15-13-23(24)14-16-26(20(7)8,21(9)10)22(11)12/h13,15,17-24H,1-12H3/b15-13+
InChIKeyOVZUGHZSIIVMQF-FYWRMAATSA-N
MW394.79 g/mol
LogP7.34
Rot. Bonds8

About (E)-1,5-bis[tri(propan-2-yl)silyl]pent-1-en-4-yn-3-ol

(E)-1,5-bis[tri(propan-2-yl)silyl]pent-1-en-4-yn-3-ol (PubChem CID 134883125) has the molecular formula C23H46OSi2 and a molecular weight of 394.79 g/mol. Its IUPAC name is (E)-1,5-bis[tri(propan-2-yl)silyl]pent-1-en-4-yn-3-ol.

Molecular Properties

Compound Name(E)-1,5-bis[tri(propan-2-yl)silyl]pent-1-en-4-yn-3-ol
PubChem CID134883125
Molecular FormulaC23H46OSi2
Molecular Weight394.79 g/mol
Exact Mass394.31
IUPAC Name(E)-1,5-bis[tri(propan-2-yl)silyl]pent-1-en-4-yn-3-ol
SMILESCC(C)[Si](C#CC(O)/C=C/[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H46OSi2/c1-17(2)25(18(3)4,19(5)6)15-13-23(24)14-16-26(20(7)8,21(9)10)22(11)12/h13,15,17-24H,1-12H3/b15-13+
InChIKeyOVZUGHZSIIVMQF-FYWRMAATSA-N
XLogP7.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.79
LogP ≤ 57.34
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 (E)-1,5-bis[tri(propan-2-yl)silyl]pent-1-en-4-yn-3-ol?
The IUPAC name of (E)-1,5-bis[tri(propan-2-yl)silyl]pent-1-en-4-yn-3-ol (CID 134883125) is (E)-1,5-bis[tri(propan-2-yl)silyl]pent-1-en-4-yn-3-ol.
What is the SMILES notation for (E)-1,5-bis[tri(propan-2-yl)silyl]pent-1-en-4-yn-3-ol?
The canonical SMILES for (E)-1,5-bis[tri(propan-2-yl)silyl]pent-1-en-4-yn-3-ol is CC(C)[Si](C#CC(O)/C=C/[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (E)-1,5-bis[tri(propan-2-yl)silyl]pent-1-en-4-yn-3-ol?
The InChIKey is OVZUGHZSIIVMQF-FYWRMAATSA-N. The full InChI is InChI=1S/C23H46OSi2/c1-17(2)25(18(3)4,19(5)6)15-13-23(24)14-16-26(20(7)8,21(9)10)22(11)12/h13,15,17-24H,1-12H3/b15-13+.
What are the key properties of (E)-1,5-bis[tri(propan-2-yl)silyl]pent-1-en-4-yn-3-ol?
(E)-1,5-bis[tri(propan-2-yl)silyl]pent-1-en-4-yn-3-ol has a molecular weight of 394.79 g/mol, XLogP of 7.34, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,5-bis[tri(propan-2-yl)silyl]pent-1-en-4-yn-3-ol is sourced from PubChem (CID 134883125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).