tris(prop-1-ene);3-prop-2-enoxyprop-1-ene

C15H28O — CID 175414947

IUPACtris(prop-1-ene);3-prop-2-enoxyprop-1-ene
SMILESC=CC.C=CC.C=CC.C=CCOCC=C
InChIInChI=1S/C6H10O.3C3H6/c1-3-5-7-6-4-2;3*1-3-2/h3-4H,1-2,5-6H2;3*3H,1H2,2H3
InChIKeyRVADRNRGJWRQDU-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.95
Rot. Bonds4

About tris(prop-1-ene);3-prop-2-enoxyprop-1-ene

tris(prop-1-ene);3-prop-2-enoxyprop-1-ene (PubChem CID 175414947) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is tris(prop-1-ene);3-prop-2-enoxyprop-1-ene.

Molecular Properties

Compound Nametris(prop-1-ene);3-prop-2-enoxyprop-1-ene
PubChem CID175414947
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Nametris(prop-1-ene);3-prop-2-enoxyprop-1-ene
SMILESC=CC.C=CC.C=CC.C=CCOCC=C
InChIInChI=1S/C6H10O.3C3H6/c1-3-5-7-6-4-2;3*1-3-2/h3-4H,1-2,5-6H2;3*3H,1H2,2H3
InChIKeyRVADRNRGJWRQDU-UHFFFAOYSA-N
XLogP4.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 tris(prop-1-ene);3-prop-2-enoxyprop-1-ene?
The IUPAC name of tris(prop-1-ene);3-prop-2-enoxyprop-1-ene (CID 175414947) is tris(prop-1-ene);3-prop-2-enoxyprop-1-ene.
What is the SMILES notation for tris(prop-1-ene);3-prop-2-enoxyprop-1-ene?
The canonical SMILES for tris(prop-1-ene);3-prop-2-enoxyprop-1-ene is C=CC.C=CC.C=CC.C=CCOCC=C.
What is the InChIKey of tris(prop-1-ene);3-prop-2-enoxyprop-1-ene?
The InChIKey is RVADRNRGJWRQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.3C3H6/c1-3-5-7-6-4-2;3*1-3-2/h3-4H,1-2,5-6H2;3*3H,1H2,2H3.
What are the key properties of tris(prop-1-ene);3-prop-2-enoxyprop-1-ene?
tris(prop-1-ene);3-prop-2-enoxyprop-1-ene has a molecular weight of 224.39 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(prop-1-ene);3-prop-2-enoxyprop-1-ene is sourced from PubChem (CID 175414947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).