1-[3,3-dimethoxy-2-(methoxymethyl)cyclobuten-1-yl]cyclopentene

C13H20O3 — CID 101443191

IUPAC1-[3,3-dimethoxy-2-(methoxymethyl)cyclobuten-1-yl]cyclopentene
SMILESCOCC1=C(C2=CCCC2)CC1(OC)OC
InChIInChI=1S/C13H20O3/c1-14-9-12-11(10-6-4-5-7-10)8-13(12,15-2)16-3/h6H,4-5,7-9H2,1-3H3
InChIKeyAUGRUKKQJZRBGT-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.43
Rot. Bonds5

About 1-[3,3-dimethoxy-2-(methoxymethyl)cyclobuten-1-yl]cyclopentene

1-[3,3-dimethoxy-2-(methoxymethyl)cyclobuten-1-yl]cyclopentene (PubChem CID 101443191) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-[3,3-dimethoxy-2-(methoxymethyl)cyclobuten-1-yl]cyclopentene.

Molecular Properties

Compound Name1-[3,3-dimethoxy-2-(methoxymethyl)cyclobuten-1-yl]cyclopentene
PubChem CID101443191
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name1-[3,3-dimethoxy-2-(methoxymethyl)cyclobuten-1-yl]cyclopentene
SMILESCOCC1=C(C2=CCCC2)CC1(OC)OC
InChIInChI=1S/C13H20O3/c1-14-9-12-11(10-6-4-5-7-10)8-13(12,15-2)16-3/h6H,4-5,7-9H2,1-3H3
InChIKeyAUGRUKKQJZRBGT-UHFFFAOYSA-N
XLogP2.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(9E)-2,2-diethoxy-5,6,7,8-tetrahydro-4H-cycloocta[b]furan
CID 12847453
(13E)-2,2-diethoxy-5,6,7,8,9,10,11,12-octahydro-4H-cyclododeca[b]furan
CID 134920269
5-(Methoxymethoxy)-1-methyl-3-methylidene-2-prop-2-enylcyclopentene
CID 19428653
1-Ethyl-3-(methoxymethoxy)-2-methyl-5-methylidenecyclopentene
CID 22908390
(3S)-1-ethyl-3-(methoxymethoxy)-2-methyl-5-methylidenecyclopentene
CID 67642607
(5S)-5-(methoxymethoxy)-1-methyl-3-methylidene-2-prop-2-enylcyclopentene
CID 67738092
1,1-Dimethoxy-4,5,6,7-tetrahydroindene
CID 150149680
1-(1,1-Dimethoxyethyl)cyclohexene
CID 12809636
6-(Cyclohexen-1-yl)-7-(methoxymethyl)-3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-ene
CID 101202650
1-[3,3-Dimethoxy-2-(methoxymethyl)cyclobuten-1-yl]cyclohexene
CID 101443189
5-[3,3-Dimethoxy-2-(methoxymethyl)cyclobuten-1-yl]-2,2-dimethyl-4,7-dihydro-1,3-dioxepine
CID 101443190
1-[3,3,4,4-Tetramethoxy-2-(methoxymethyl)cyclobuten-1-yl]cyclohexene
CID 102462219

Frequently Asked Questions

What is the IUPAC name of 1-[3,3-dimethoxy-2-(methoxymethyl)cyclobuten-1-yl]cyclopentene?
The IUPAC name of 1-[3,3-dimethoxy-2-(methoxymethyl)cyclobuten-1-yl]cyclopentene (CID 101443191) is 1-[3,3-dimethoxy-2-(methoxymethyl)cyclobuten-1-yl]cyclopentene.
What is the SMILES notation for 1-[3,3-dimethoxy-2-(methoxymethyl)cyclobuten-1-yl]cyclopentene?
The canonical SMILES for 1-[3,3-dimethoxy-2-(methoxymethyl)cyclobuten-1-yl]cyclopentene is COCC1=C(C2=CCCC2)CC1(OC)OC.
What is the InChIKey of 1-[3,3-dimethoxy-2-(methoxymethyl)cyclobuten-1-yl]cyclopentene?
The InChIKey is AUGRUKKQJZRBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-14-9-12-11(10-6-4-5-7-10)8-13(12,15-2)16-3/h6H,4-5,7-9H2,1-3H3.
What are the key properties of 1-[3,3-dimethoxy-2-(methoxymethyl)cyclobuten-1-yl]cyclopentene?
1-[3,3-dimethoxy-2-(methoxymethyl)cyclobuten-1-yl]cyclopentene has a molecular weight of 224.30 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3-dimethoxy-2-(methoxymethyl)cyclobuten-1-yl]cyclopentene is sourced from PubChem (CID 101443191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).