4-methyl-1,7-bis[tris(prop-2-enyl)silyl]heptan-4-ol

C26H46OSi2 — CID 140647208

IUPAC4-methyl-1,7-bis[tris(prop-2-enyl)silyl]heptan-4-ol
SMILESC=CC[Si](CC=C)(CC=C)CCCC(C)(O)CCC[Si](CC=C)(CC=C)CC=C
InChIInChI=1S/C26H46OSi2/c1-8-18-28(19-9-2,20-10-3)24-14-16-26(7,27)17-15-25-29(21-11-4,22-12-5)23-13-6/h8-13,27H,1-6,14-25H2,7H3
InChIKeyBDIQHNZHFASRPA-UHFFFAOYSA-N
MW430.83 g/mol
LogP8.31
Rot. Bonds20

About 4-methyl-1,7-bis[tris(prop-2-enyl)silyl]heptan-4-ol

4-methyl-1,7-bis[tris(prop-2-enyl)silyl]heptan-4-ol (PubChem CID 140647208) has the molecular formula C26H46OSi2 and a molecular weight of 430.83 g/mol. Its IUPAC name is 4-methyl-1,7-bis[tris(prop-2-enyl)silyl]heptan-4-ol.

Molecular Properties

Compound Name4-methyl-1,7-bis[tris(prop-2-enyl)silyl]heptan-4-ol
PubChem CID140647208
Molecular FormulaC26H46OSi2
Molecular Weight430.83 g/mol
Exact Mass430.31
IUPAC Name4-methyl-1,7-bis[tris(prop-2-enyl)silyl]heptan-4-ol
SMILESC=CC[Si](CC=C)(CC=C)CCCC(C)(O)CCC[Si](CC=C)(CC=C)CC=C
InChIInChI=1S/C26H46OSi2/c1-8-18-28(19-9-2,20-10-3)24-14-16-26(7,27)17-15-25-29(21-11-4,22-12-5)23-13-6/h8-13,27H,1-6,14-25H2,7H3
InChIKeyBDIQHNZHFASRPA-UHFFFAOYSA-N
XLogP8.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.83
LogP ≤ 58.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,7-bis[tris(prop-2-enyl)silyl]heptan-4-ol?
The IUPAC name of 4-methyl-1,7-bis[tris(prop-2-enyl)silyl]heptan-4-ol (CID 140647208) is 4-methyl-1,7-bis[tris(prop-2-enyl)silyl]heptan-4-ol.
What is the SMILES notation for 4-methyl-1,7-bis[tris(prop-2-enyl)silyl]heptan-4-ol?
The canonical SMILES for 4-methyl-1,7-bis[tris(prop-2-enyl)silyl]heptan-4-ol is C=CC[Si](CC=C)(CC=C)CCCC(C)(O)CCC[Si](CC=C)(CC=C)CC=C.
What is the InChIKey of 4-methyl-1,7-bis[tris(prop-2-enyl)silyl]heptan-4-ol?
The InChIKey is BDIQHNZHFASRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46OSi2/c1-8-18-28(19-9-2,20-10-3)24-14-16-26(7,27)17-15-25-29(21-11-4,22-12-5)23-13-6/h8-13,27H,1-6,14-25H2,7H3.
What are the key properties of 4-methyl-1,7-bis[tris(prop-2-enyl)silyl]heptan-4-ol?
4-methyl-1,7-bis[tris(prop-2-enyl)silyl]heptan-4-ol has a molecular weight of 430.83 g/mol, XLogP of 8.31, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,7-bis[tris(prop-2-enyl)silyl]heptan-4-ol is sourced from PubChem (CID 140647208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).