4-but-3-enyl-4-methoxycyclopentene

C10H16O — CID 101200196

IUPAC4-but-3-enyl-4-methoxycyclopentene
SMILESC=CCCC1(OC)CC=CC1
InChIInChI=1S/C10H16O/c1-3-4-7-10(11-2)8-5-6-9-10/h3,5-6H,1,4,7-9H2,2H3
InChIKeyQFPCYJWSGYTOKH-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.69
Rot. Bonds4

About 4-but-3-enyl-4-methoxycyclopentene

4-but-3-enyl-4-methoxycyclopentene (PubChem CID 101200196) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-but-3-enyl-4-methoxycyclopentene.

Molecular Properties

Compound Name4-but-3-enyl-4-methoxycyclopentene
PubChem CID101200196
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name4-but-3-enyl-4-methoxycyclopentene
SMILESC=CCCC1(OC)CC=CC1
InChIInChI=1S/C10H16O/c1-3-4-7-10(11-2)8-5-6-9-10/h3,5-6H,1,4,7-9H2,2H3
InChIKeyQFPCYJWSGYTOKH-UHFFFAOYSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-methoxycyclopentene?
The IUPAC name of 4-but-3-enyl-4-methoxycyclopentene (CID 101200196) is 4-but-3-enyl-4-methoxycyclopentene.
What is the SMILES notation for 4-but-3-enyl-4-methoxycyclopentene?
The canonical SMILES for 4-but-3-enyl-4-methoxycyclopentene is C=CCCC1(OC)CC=CC1.
What is the InChIKey of 4-but-3-enyl-4-methoxycyclopentene?
The InChIKey is QFPCYJWSGYTOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-3-4-7-10(11-2)8-5-6-9-10/h3,5-6H,1,4,7-9H2,2H3.
What are the key properties of 4-but-3-enyl-4-methoxycyclopentene?
4-but-3-enyl-4-methoxycyclopentene has a molecular weight of 152.24 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enyl-4-methoxycyclopentene is sourced from PubChem (CID 101200196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).