4-(3-methylbut-3-enyl)-4-prop-2-enoxycyclopentene

C13H20O — CID 11389923

IUPAC4-(3-methylbut-3-enyl)-4-prop-2-enoxycyclopentene
SMILESC=CCOC1(CCC(=C)C)CC=CC1
InChIInChI=1S/C13H20O/c1-4-11-14-13(8-5-6-9-13)10-7-12(2)3/h4-6H,1-2,7-11H2,3H3
InChIKeyUMJSLDJAEZMOSW-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.63
Rot. Bonds6

About 4-(3-methylbut-3-enyl)-4-prop-2-enoxycyclopentene

4-(3-methylbut-3-enyl)-4-prop-2-enoxycyclopentene (PubChem CID 11389923) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 4-(3-methylbut-3-enyl)-4-prop-2-enoxycyclopentene.

Molecular Properties

Compound Name4-(3-methylbut-3-enyl)-4-prop-2-enoxycyclopentene
PubChem CID11389923
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name4-(3-methylbut-3-enyl)-4-prop-2-enoxycyclopentene
SMILESC=CCOC1(CCC(=C)C)CC=CC1
InChIInChI=1S/C13H20O/c1-4-11-14-13(8-5-6-9-13)10-7-12(2)3/h4-6H,1-2,7-11H2,3H3
InChIKeyUMJSLDJAEZMOSW-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.63
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-(3-methylbut-3-enyl)-4-prop-2-enoxycyclopentene?
The IUPAC name of 4-(3-methylbut-3-enyl)-4-prop-2-enoxycyclopentene (CID 11389923) is 4-(3-methylbut-3-enyl)-4-prop-2-enoxycyclopentene.
What is the SMILES notation for 4-(3-methylbut-3-enyl)-4-prop-2-enoxycyclopentene?
The canonical SMILES for 4-(3-methylbut-3-enyl)-4-prop-2-enoxycyclopentene is C=CCOC1(CCC(=C)C)CC=CC1.
What is the InChIKey of 4-(3-methylbut-3-enyl)-4-prop-2-enoxycyclopentene?
The InChIKey is UMJSLDJAEZMOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-4-11-14-13(8-5-6-9-13)10-7-12(2)3/h4-6H,1-2,7-11H2,3H3.
What are the key properties of 4-(3-methylbut-3-enyl)-4-prop-2-enoxycyclopentene?
4-(3-methylbut-3-enyl)-4-prop-2-enoxycyclopentene has a molecular weight of 192.30 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbut-3-enyl)-4-prop-2-enoxycyclopentene is sourced from PubChem (CID 11389923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).