6-[3-hex-5-enoxy-2,2-bis(hex-5-enoxymethyl)propoxy]hex-1-ene

C29H52O4 — CID 177402979

IUPAC6-[3-hex-5-enoxy-2,2-bis(hex-5-enoxymethyl)propoxy]hex-1-ene
SMILESC=CCCCCOCC(COCCCCC=C)(COCCCCC=C)COCCCCC=C
InChIInChI=1S/C29H52O4/c1-5-9-13-17-21-30-25-29(26-31-22-18-14-10-6-2,27-32-23-19-15-11-7-3)28-33-24-20-16-12-8-4/h5-8H,1-4,9-28H2
InChIKeyGVARGLMQYQZCIO-UHFFFAOYSA-N
MW464.73 g/mol
LogP7.46
Rot. Bonds28

About 6-[3-hex-5-enoxy-2,2-bis(hex-5-enoxymethyl)propoxy]hex-1-ene

6-[3-hex-5-enoxy-2,2-bis(hex-5-enoxymethyl)propoxy]hex-1-ene (PubChem CID 177402979) has the molecular formula C29H52O4 and a molecular weight of 464.73 g/mol. Its IUPAC name is 6-[3-hex-5-enoxy-2,2-bis(hex-5-enoxymethyl)propoxy]hex-1-ene.

Molecular Properties

Compound Name6-[3-hex-5-enoxy-2,2-bis(hex-5-enoxymethyl)propoxy]hex-1-ene
PubChem CID177402979
Molecular FormulaC29H52O4
Molecular Weight464.73 g/mol
Exact Mass464.39
IUPAC Name6-[3-hex-5-enoxy-2,2-bis(hex-5-enoxymethyl)propoxy]hex-1-ene
SMILESC=CCCCCOCC(COCCCCC=C)(COCCCCC=C)COCCCCC=C
InChIInChI=1S/C29H52O4/c1-5-9-13-17-21-30-25-29(26-31-22-18-14-10-6-2,27-32-23-19-15-11-7-3)28-33-24-20-16-12-8-4/h5-8H,1-4,9-28H2
InChIKeyGVARGLMQYQZCIO-UHFFFAOYSA-N
XLogP7.46
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds28
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.73
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[3-hex-5-enoxy-2,2-bis(hex-5-enoxymethyl)propoxy]hex-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[3-hex-5-enoxy-2,2-bis(hex-5-enoxymethyl)propoxy]hex-1-ene?
The IUPAC name of 6-[3-hex-5-enoxy-2,2-bis(hex-5-enoxymethyl)propoxy]hex-1-ene (CID 177402979) is 6-[3-hex-5-enoxy-2,2-bis(hex-5-enoxymethyl)propoxy]hex-1-ene.
What is the SMILES notation for 6-[3-hex-5-enoxy-2,2-bis(hex-5-enoxymethyl)propoxy]hex-1-ene?
The canonical SMILES for 6-[3-hex-5-enoxy-2,2-bis(hex-5-enoxymethyl)propoxy]hex-1-ene is C=CCCCCOCC(COCCCCC=C)(COCCCCC=C)COCCCCC=C.
What is the InChIKey of 6-[3-hex-5-enoxy-2,2-bis(hex-5-enoxymethyl)propoxy]hex-1-ene?
The InChIKey is GVARGLMQYQZCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H52O4/c1-5-9-13-17-21-30-25-29(26-31-22-18-14-10-6-2,27-32-23-19-15-11-7-3)28-33-24-20-16-12-8-4/h5-8H,1-4,9-28H2.
What are the key properties of 6-[3-hex-5-enoxy-2,2-bis(hex-5-enoxymethyl)propoxy]hex-1-ene?
6-[3-hex-5-enoxy-2,2-bis(hex-5-enoxymethyl)propoxy]hex-1-ene has a molecular weight of 464.73 g/mol, XLogP of 7.46, 28 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-hex-5-enoxy-2,2-bis(hex-5-enoxymethyl)propoxy]hex-1-ene is sourced from PubChem (CID 177402979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).