3-prop-2-enoxyprop-1-ene;2,4,6-tris(prop-2-enyl)phenol

C21H28O2 — CID 67855244

IUPAC3-prop-2-enoxyprop-1-ene;2,4,6-tris(prop-2-enyl)phenol
SMILESC=CCOCC=C.C=CCc1cc(CC=C)c(O)c(CC=C)c1
InChIInChI=1S/C15H18O.C6H10O/c1-4-7-12-10-13(8-5-2)15(16)14(11-12)9-6-3;1-3-5-7-6-4-2/h4-6,10-11,16H,1-3,7-9H2;3-4H,1-2,5-6H2
InChIKeyRVBKLBSBSMUXKA-UHFFFAOYSA-N
MW312.45 g/mol
LogP4.95
Rot. Bonds10

About 3-prop-2-enoxyprop-1-ene;2,4,6-tris(prop-2-enyl)phenol

3-prop-2-enoxyprop-1-ene;2,4,6-tris(prop-2-enyl)phenol (PubChem CID 67855244) has the molecular formula C21H28O2 and a molecular weight of 312.45 g/mol. Its IUPAC name is 3-prop-2-enoxyprop-1-ene;2,4,6-tris(prop-2-enyl)phenol.

Molecular Properties

Compound Name3-prop-2-enoxyprop-1-ene;2,4,6-tris(prop-2-enyl)phenol
PubChem CID67855244
Molecular FormulaC21H28O2
Molecular Weight312.45 g/mol
Exact Mass312.21
IUPAC Name3-prop-2-enoxyprop-1-ene;2,4,6-tris(prop-2-enyl)phenol
SMILESC=CCOCC=C.C=CCc1cc(CC=C)c(O)c(CC=C)c1
InChIInChI=1S/C15H18O.C6H10O/c1-4-7-12-10-13(8-5-2)15(16)14(11-12)9-6-3;1-3-5-7-6-4-2/h4-6,10-11,16H,1-3,7-9H2;3-4H,1-2,5-6H2
InChIKeyRVBKLBSBSMUXKA-UHFFFAOYSA-N
XLogP4.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxyprop-1-ene;2,4,6-tris(prop-2-enyl)phenol?
The IUPAC name of 3-prop-2-enoxyprop-1-ene;2,4,6-tris(prop-2-enyl)phenol (CID 67855244) is 3-prop-2-enoxyprop-1-ene;2,4,6-tris(prop-2-enyl)phenol.
What is the SMILES notation for 3-prop-2-enoxyprop-1-ene;2,4,6-tris(prop-2-enyl)phenol?
The canonical SMILES for 3-prop-2-enoxyprop-1-ene;2,4,6-tris(prop-2-enyl)phenol is C=CCOCC=C.C=CCc1cc(CC=C)c(O)c(CC=C)c1.
What is the InChIKey of 3-prop-2-enoxyprop-1-ene;2,4,6-tris(prop-2-enyl)phenol?
The InChIKey is RVBKLBSBSMUXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O.C6H10O/c1-4-7-12-10-13(8-5-2)15(16)14(11-12)9-6-3;1-3-5-7-6-4-2/h4-6,10-11,16H,1-3,7-9H2;3-4H,1-2,5-6H2.
What are the key properties of 3-prop-2-enoxyprop-1-ene;2,4,6-tris(prop-2-enyl)phenol?
3-prop-2-enoxyprop-1-ene;2,4,6-tris(prop-2-enyl)phenol has a molecular weight of 312.45 g/mol, XLogP of 4.95, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxyprop-1-ene;2,4,6-tris(prop-2-enyl)phenol is sourced from PubChem (CID 67855244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).