hex-1-ene;1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C6H20O4Si4 — CID 160811652

IUPAChex-1-ene;1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESC=CCCCC.O1[SiH2]O[SiH2]O[SiH2]O[SiH2]1
InChIInChI=1S/C6H12.H8O4Si4/c1-3-5-6-4-2;1-5-2-7-4-8-3-6-1/h3H,1,4-6H2,2H3;5-8H2
InChIKeySEJJDCNTYPNOCS-UHFFFAOYSA-N
MW268.57 g/mol
LogP-1.58
Rot. Bonds3

About hex-1-ene;1,3,5,7,2,4,6,8-tetraoxatetrasilocane

hex-1-ene;1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 160811652) has the molecular formula C6H20O4Si4 and a molecular weight of 268.57 g/mol. Its IUPAC name is hex-1-ene;1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

Compound Namehex-1-ene;1,3,5,7,2,4,6,8-tetraoxatetrasilocane
PubChem CID160811652
Molecular FormulaC6H20O4Si4
Molecular Weight268.57 g/mol
Exact Mass268.04
IUPAC Namehex-1-ene;1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESC=CCCCC.O1[SiH2]O[SiH2]O[SiH2]O[SiH2]1
InChIInChI=1S/C6H12.H8O4Si4/c1-3-5-6-4-2;1-5-2-7-4-8-3-6-1/h3H,1,4-6H2,2H3;5-8H2
InChIKeySEJJDCNTYPNOCS-UHFFFAOYSA-N
XLogP-1.58
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.57
LogP ≤ 5-1.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of hex-1-ene;1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The IUPAC name of hex-1-ene;1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 160811652) is hex-1-ene;1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
What is the SMILES notation for hex-1-ene;1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The canonical SMILES for hex-1-ene;1,3,5,7,2,4,6,8-tetraoxatetrasilocane is C=CCCCC.O1[SiH2]O[SiH2]O[SiH2]O[SiH2]1.
What is the InChIKey of hex-1-ene;1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The InChIKey is SEJJDCNTYPNOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.H8O4Si4/c1-3-5-6-4-2;1-5-2-7-4-8-3-6-1/h3H,1,4-6H2,2H3;5-8H2.
What are the key properties of hex-1-ene;1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
hex-1-ene;1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 268.57 g/mol, XLogP of -1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hex-1-ene;1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 160811652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).