4-(prop-2-enoxymethyl)-4-[[(E)-4-[[1-(prop-2-enoxymethyl)cyclopent-3-en-1-yl]methoxy]but-2-enoxy]methyl]cyclopentene

C24H36O4 — CID 101200824

IUPAC4-(prop-2-enoxymethyl)-4-[[(E)-4-[[1-(prop-2-enoxymethyl)cyclopent-3-en-1-yl]methoxy]but-2-enoxy]methyl]cyclopentene
SMILESC=CCOCC1(COC/C=C/COCC2(COCC=C)CC=CC2)CC=CC1
InChIInChI=1S/C24H36O4/c1-3-15-25-19-23(11-5-6-12-23)21-27-17-9-10-18-28-22-24(13-7-8-14-24)20-26-16-4-2/h3-10H,1-2,11-22H2/b10-9+
InChIKeyVSZFBUPMAMTOBD-MDZDMXLPSA-N
MW388.55 g/mol
LogP4.65
Rot. Bonds16

About 4-(prop-2-enoxymethyl)-4-[[(E)-4-[[1-(prop-2-enoxymethyl)cyclopent-3-en-1-yl]methoxy]but-2-enoxy]methyl]cyclopentene

4-(prop-2-enoxymethyl)-4-[[(E)-4-[[1-(prop-2-enoxymethyl)cyclopent-3-en-1-yl]methoxy]but-2-enoxy]methyl]cyclopentene (PubChem CID 101200824) has the molecular formula C24H36O4 and a molecular weight of 388.55 g/mol. Its IUPAC name is 4-(prop-2-enoxymethyl)-4-[[(E)-4-[[1-(prop-2-enoxymethyl)cyclopent-3-en-1-yl]methoxy]but-2-enoxy]methyl]cyclopentene.

Molecular Properties

Compound Name4-(prop-2-enoxymethyl)-4-[[(E)-4-[[1-(prop-2-enoxymethyl)cyclopent-3-en-1-yl]methoxy]but-2-enoxy]methyl]cyclopentene
PubChem CID101200824
Molecular FormulaC24H36O4
Molecular Weight388.55 g/mol
Exact Mass388.26
IUPAC Name4-(prop-2-enoxymethyl)-4-[[(E)-4-[[1-(prop-2-enoxymethyl)cyclopent-3-en-1-yl]methoxy]but-2-enoxy]methyl]cyclopentene
SMILESC=CCOCC1(COC/C=C/COCC2(COCC=C)CC=CC2)CC=CC1
InChIInChI=1S/C24H36O4/c1-3-15-25-19-23(11-5-6-12-23)21-27-17-9-10-18-28-22-24(13-7-8-14-24)20-26-16-4-2/h3-10H,1-2,11-22H2/b10-9+
InChIKeyVSZFBUPMAMTOBD-MDZDMXLPSA-N
XLogP4.65
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.55
LogP ≤ 54.65
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'}

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Related Compounds

2,9-Dioxaspiro[6.6]trideca-4,11-diene
CID 86214882
(2E,7E)-5,5-bis(prop-2-enoxymethyl)nona-2,7-diene
CID 101200823
4,4,9,9-Tetrakis(ethoxymethyl)-1,6,11-dodecatriene
CID 129851492
(9E,22E)-7,12,20,25-tetraoxadispiro[4.8.414.85]hexacosa-2,9,16,22-tetraene
CID 177495943
1-(5,5-Dimethylhept-2-enoxy)-5,5-dimethylhept-2-ene
CID 57019524
2-[2-(2,5-Dihydrofuran-2-yl)propan-2-yl]-2,5-dihydrofuran
CID 173662677
4,4-Bis(prop-2-enoxymethyl)cyclopentene
CID 86214873

Frequently Asked Questions

What is the IUPAC name of 4-(prop-2-enoxymethyl)-4-[[(E)-4-[[1-(prop-2-enoxymethyl)cyclopent-3-en-1-yl]methoxy]but-2-enoxy]methyl]cyclopentene?
The IUPAC name of 4-(prop-2-enoxymethyl)-4-[[(E)-4-[[1-(prop-2-enoxymethyl)cyclopent-3-en-1-yl]methoxy]but-2-enoxy]methyl]cyclopentene (CID 101200824) is 4-(prop-2-enoxymethyl)-4-[[(E)-4-[[1-(prop-2-enoxymethyl)cyclopent-3-en-1-yl]methoxy]but-2-enoxy]methyl]cyclopentene.
What is the SMILES notation for 4-(prop-2-enoxymethyl)-4-[[(E)-4-[[1-(prop-2-enoxymethyl)cyclopent-3-en-1-yl]methoxy]but-2-enoxy]methyl]cyclopentene?
The canonical SMILES for 4-(prop-2-enoxymethyl)-4-[[(E)-4-[[1-(prop-2-enoxymethyl)cyclopent-3-en-1-yl]methoxy]but-2-enoxy]methyl]cyclopentene is C=CCOCC1(COC/C=C/COCC2(COCC=C)CC=CC2)CC=CC1.
What is the InChIKey of 4-(prop-2-enoxymethyl)-4-[[(E)-4-[[1-(prop-2-enoxymethyl)cyclopent-3-en-1-yl]methoxy]but-2-enoxy]methyl]cyclopentene?
The InChIKey is VSZFBUPMAMTOBD-MDZDMXLPSA-N. The full InChI is InChI=1S/C24H36O4/c1-3-15-25-19-23(11-5-6-12-23)21-27-17-9-10-18-28-22-24(13-7-8-14-24)20-26-16-4-2/h3-10H,1-2,11-22H2/b10-9+.
What are the key properties of 4-(prop-2-enoxymethyl)-4-[[(E)-4-[[1-(prop-2-enoxymethyl)cyclopent-3-en-1-yl]methoxy]but-2-enoxy]methyl]cyclopentene?
4-(prop-2-enoxymethyl)-4-[[(E)-4-[[1-(prop-2-enoxymethyl)cyclopent-3-en-1-yl]methoxy]but-2-enoxy]methyl]cyclopentene has a molecular weight of 388.55 g/mol, XLogP of 4.65, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(prop-2-enoxymethyl)-4-[[(E)-4-[[1-(prop-2-enoxymethyl)cyclopent-3-en-1-yl]methoxy]but-2-enoxy]methyl]cyclopentene is sourced from PubChem (CID 101200824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).