4,4-bis(propoxymethyl)cyclopentene

C13H24O2 — CID 121325772

IUPAC4,4-bis(propoxymethyl)cyclopentene
SMILESCCCOCC1(COCCC)CC=CC1
InChIInChI=1S/C13H24O2/c1-3-9-14-11-13(7-5-6-8-13)12-15-10-4-2/h5-6H,3-4,7-12H2,1-2H3
InChIKeyQZUYWFIGVQEVFN-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.18
Rot. Bonds8

About 4,4-bis(propoxymethyl)cyclopentene

4,4-bis(propoxymethyl)cyclopentene (PubChem CID 121325772) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 4,4-bis(propoxymethyl)cyclopentene.

Molecular Properties

Compound Name4,4-bis(propoxymethyl)cyclopentene
PubChem CID121325772
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name4,4-bis(propoxymethyl)cyclopentene
SMILESCCCOCC1(COCCC)CC=CC1
InChIInChI=1S/C13H24O2/c1-3-9-14-11-13(7-5-6-8-13)12-15-10-4-2/h5-6H,3-4,7-12H2,1-2H3
InChIKeyQZUYWFIGVQEVFN-UHFFFAOYSA-N
XLogP3.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,4-bis(propoxymethyl)cyclopentene with MolForge

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

Launch Full Analysis

Related Compounds

(1-(Methoxymethyl)cyclopent-3-en-1-yl)methanol
CID 53753373
4,4-Bis(methoxymethyl)-1,6-heptadiene
CID 11074076
4,4-Bis(ethoxymethyl)-1,6-heptadiene
CID 102449668
(2E,7E)-5,5-bis(prop-2-enoxymethyl)nona-2,7-diene
CID 101200823
4,4,9,9-Tetrakis(methoxymethyl)-1,6,11-dodecatriene
CID 129851483
4,4,9,9-Tetrakis(ethoxymethyl)-1,6,11-dodecatriene
CID 129851492
8,8-Dimethyl-7,9-dioxaspiro[4.5]dec-2-ene
CID 71359301
8,8-Dibutyl-7,9-dioxa-8-stannaspiro[4.5]dec-2-ene
CID 18766945
5,5-Bis(methoxymethyl)-2,8-dimethylnona-2,7-diene
CID 19985381
7,7-Bis(methoxymethyl)bicyclo[2.2.1]hepta-2,5-diene
CID 22140460
5,5-Bis(1-butoxyethyl)cyclopenta-1,3-diene
CID 22140465
4-methyl-4-[(E)-prop-1-enyl]oxane
CID 57602871

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(propoxymethyl)cyclopentene?
The IUPAC name of 4,4-bis(propoxymethyl)cyclopentene (CID 121325772) is 4,4-bis(propoxymethyl)cyclopentene.
What is the SMILES notation for 4,4-bis(propoxymethyl)cyclopentene?
The canonical SMILES for 4,4-bis(propoxymethyl)cyclopentene is CCCOCC1(COCCC)CC=CC1.
What is the InChIKey of 4,4-bis(propoxymethyl)cyclopentene?
The InChIKey is QZUYWFIGVQEVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-3-9-14-11-13(7-5-6-8-13)12-15-10-4-2/h5-6H,3-4,7-12H2,1-2H3.
What are the key properties of 4,4-bis(propoxymethyl)cyclopentene?
4,4-bis(propoxymethyl)cyclopentene has a molecular weight of 212.33 g/mol, XLogP of 3.18, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(propoxymethyl)cyclopentene is sourced from PubChem (CID 121325772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).