1-[hydroxy(dimethyl)silyl]hex-4-yn-3-ol

C8H16O2Si — CID 12022384

IUPAC1-[hydroxy(dimethyl)silyl]hex-4-yn-3-ol
SMILESCC#CC(O)CC[Si](C)(C)O
InChIInChI=1S/C8H16O2Si/c1-4-5-8(9)6-7-11(2,3)10/h8-10H,6-7H2,1-3H3
InChIKeyBEYUZPRYTNFKHB-UHFFFAOYSA-N
MW172.30 g/mol
LogP0.96
Rot. Bonds3

About 1-[hydroxy(dimethyl)silyl]hex-4-yn-3-ol

1-[hydroxy(dimethyl)silyl]hex-4-yn-3-ol (PubChem CID 12022384) has the molecular formula C8H16O2Si and a molecular weight of 172.30 g/mol. Its IUPAC name is 1-[hydroxy(dimethyl)silyl]hex-4-yn-3-ol.

Molecular Properties

Compound Name1-[hydroxy(dimethyl)silyl]hex-4-yn-3-ol
PubChem CID12022384
Molecular FormulaC8H16O2Si
Molecular Weight172.30 g/mol
Exact Mass172.09
IUPAC Name1-[hydroxy(dimethyl)silyl]hex-4-yn-3-ol
SMILESCC#CC(O)CC[Si](C)(C)O
InChIInChI=1S/C8H16O2Si/c1-4-5-8(9)6-7-11(2,3)10/h8-10H,6-7H2,1-3H3
InChIKeyBEYUZPRYTNFKHB-UHFFFAOYSA-N
XLogP0.96
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1-[hydroxy(dimethyl)silyl]hex-4-yn-3-ol?
The IUPAC name of 1-[hydroxy(dimethyl)silyl]hex-4-yn-3-ol (CID 12022384) is 1-[hydroxy(dimethyl)silyl]hex-4-yn-3-ol.
What is the SMILES notation for 1-[hydroxy(dimethyl)silyl]hex-4-yn-3-ol?
The canonical SMILES for 1-[hydroxy(dimethyl)silyl]hex-4-yn-3-ol is CC#CC(O)CC[Si](C)(C)O.
What is the InChIKey of 1-[hydroxy(dimethyl)silyl]hex-4-yn-3-ol?
The InChIKey is BEYUZPRYTNFKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2Si/c1-4-5-8(9)6-7-11(2,3)10/h8-10H,6-7H2,1-3H3.
What are the key properties of 1-[hydroxy(dimethyl)silyl]hex-4-yn-3-ol?
1-[hydroxy(dimethyl)silyl]hex-4-yn-3-ol has a molecular weight of 172.30 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy(dimethyl)silyl]hex-4-yn-3-ol is sourced from PubChem (CID 12022384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).