4-but-3-enyl-4-(methoxymethoxy)cyclopentene

C11H18O2 — CID 101200194

IUPAC4-but-3-enyl-4-(methoxymethoxy)cyclopentene
SMILESC=CCCC1(OCOC)CC=CC1
InChIInChI=1S/C11H18O2/c1-3-4-7-11(13-10-12-2)8-5-6-9-11/h3,5-6H,1,4,7-10H2,2H3
InChIKeyNONVQZSYSWEPDR-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.66
Rot. Bonds6

About 4-but-3-enyl-4-(methoxymethoxy)cyclopentene

4-but-3-enyl-4-(methoxymethoxy)cyclopentene (PubChem CID 101200194) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 4-but-3-enyl-4-(methoxymethoxy)cyclopentene.

Molecular Properties

Compound Name4-but-3-enyl-4-(methoxymethoxy)cyclopentene
PubChem CID101200194
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name4-but-3-enyl-4-(methoxymethoxy)cyclopentene
SMILESC=CCCC1(OCOC)CC=CC1
InChIInChI=1S/C11H18O2/c1-3-4-7-11(13-10-12-2)8-5-6-9-11/h3,5-6H,1,4,7-10H2,2H3
InChIKeyNONVQZSYSWEPDR-UHFFFAOYSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-but-3-enyl-4-(methoxymethoxy)cyclopentene?
The IUPAC name of 4-but-3-enyl-4-(methoxymethoxy)cyclopentene (CID 101200194) is 4-but-3-enyl-4-(methoxymethoxy)cyclopentene.
What is the SMILES notation for 4-but-3-enyl-4-(methoxymethoxy)cyclopentene?
The canonical SMILES for 4-but-3-enyl-4-(methoxymethoxy)cyclopentene is C=CCCC1(OCOC)CC=CC1.
What is the InChIKey of 4-but-3-enyl-4-(methoxymethoxy)cyclopentene?
The InChIKey is NONVQZSYSWEPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-4-7-11(13-10-12-2)8-5-6-9-11/h3,5-6H,1,4,7-10H2,2H3.
What are the key properties of 4-but-3-enyl-4-(methoxymethoxy)cyclopentene?
4-but-3-enyl-4-(methoxymethoxy)cyclopentene has a molecular weight of 182.26 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enyl-4-(methoxymethoxy)cyclopentene is sourced from PubChem (CID 101200194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).