4-methylidene-1,6-bis(trimethylsilyl)hexa-1,5-diyn-3-ol

C13H22OSi2 — CID 11402468

IUPAC4-methylidene-1,6-bis(trimethylsilyl)hexa-1,5-diyn-3-ol
SMILESC=C(C#C[Si](C)(C)C)C(O)C#C[Si](C)(C)C
InChIInChI=1S/C13H22OSi2/c1-12(8-10-15(2,3)4)13(14)9-11-16(5,6)7/h13-14H,1H2,2-7H3
InChIKeyCRXDFEUBARNBGA-UHFFFAOYSA-N
MW250.49 g/mol
LogP2.67
Rot. Bonds1

About 4-methylidene-1,6-bis(trimethylsilyl)hexa-1,5-diyn-3-ol

4-methylidene-1,6-bis(trimethylsilyl)hexa-1,5-diyn-3-ol (PubChem CID 11402468) has the molecular formula C13H22OSi2 and a molecular weight of 250.49 g/mol. Its IUPAC name is 4-methylidene-1,6-bis(trimethylsilyl)hexa-1,5-diyn-3-ol.

Molecular Properties

Compound Name4-methylidene-1,6-bis(trimethylsilyl)hexa-1,5-diyn-3-ol
PubChem CID11402468
Molecular FormulaC13H22OSi2
Molecular Weight250.49 g/mol
Exact Mass250.12
IUPAC Name4-methylidene-1,6-bis(trimethylsilyl)hexa-1,5-diyn-3-ol
SMILESC=C(C#C[Si](C)(C)C)C(O)C#C[Si](C)(C)C
InChIInChI=1S/C13H22OSi2/c1-12(8-10-15(2,3)4)13(14)9-11-16(5,6)7/h13-14H,1H2,2-7H3
InChIKeyCRXDFEUBARNBGA-UHFFFAOYSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.49
LogP ≤ 52.67
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 4-methylidene-1,6-bis(trimethylsilyl)hexa-1,5-diyn-3-ol?
The IUPAC name of 4-methylidene-1,6-bis(trimethylsilyl)hexa-1,5-diyn-3-ol (CID 11402468) is 4-methylidene-1,6-bis(trimethylsilyl)hexa-1,5-diyn-3-ol.
What is the SMILES notation for 4-methylidene-1,6-bis(trimethylsilyl)hexa-1,5-diyn-3-ol?
The canonical SMILES for 4-methylidene-1,6-bis(trimethylsilyl)hexa-1,5-diyn-3-ol is C=C(C#C[Si](C)(C)C)C(O)C#C[Si](C)(C)C.
What is the InChIKey of 4-methylidene-1,6-bis(trimethylsilyl)hexa-1,5-diyn-3-ol?
The InChIKey is CRXDFEUBARNBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OSi2/c1-12(8-10-15(2,3)4)13(14)9-11-16(5,6)7/h13-14H,1H2,2-7H3.
What are the key properties of 4-methylidene-1,6-bis(trimethylsilyl)hexa-1,5-diyn-3-ol?
4-methylidene-1,6-bis(trimethylsilyl)hexa-1,5-diyn-3-ol has a molecular weight of 250.49 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1,6-bis(trimethylsilyl)hexa-1,5-diyn-3-ol is sourced from PubChem (CID 11402468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).