4-[(E)-2-methylbut-2-enyl]-4-prop-2-enoxycyclopentene

C13H20O — CID 101200203

IUPAC4-[(E)-2-methylbut-2-enyl]-4-prop-2-enoxycyclopentene
SMILESC=CCOC1(C/C(C)=C/C)CC=CC1
InChIInChI=1S/C13H20O/c1-4-10-14-13(8-6-7-9-13)11-12(3)5-2/h4-7H,1,8-11H2,2-3H3/b12-5+
InChIKeyCQUIJSYCPGACMG-LFYBBSHMSA-N
MW192.30 g/mol
LogP3.63
Rot. Bonds5

About 4-[(E)-2-methylbut-2-enyl]-4-prop-2-enoxycyclopentene

4-[(E)-2-methylbut-2-enyl]-4-prop-2-enoxycyclopentene (PubChem CID 101200203) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 4-[(E)-2-methylbut-2-enyl]-4-prop-2-enoxycyclopentene.

Molecular Properties

Compound Name4-[(E)-2-methylbut-2-enyl]-4-prop-2-enoxycyclopentene
PubChem CID101200203
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name4-[(E)-2-methylbut-2-enyl]-4-prop-2-enoxycyclopentene
SMILESC=CCOC1(C/C(C)=C/C)CC=CC1
InChIInChI=1S/C13H20O/c1-4-10-14-13(8-6-7-9-13)11-12(3)5-2/h4-7H,1,8-11H2,2-3H3/b12-5+
InChIKeyCQUIJSYCPGACMG-LFYBBSHMSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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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Related Compounds

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CID 108507
Ethyl linalyl ether
CID 175211
Cassyrane
CID 11658397
Cassyrane, (2S,5S)-
CID 91980009
Cassyrane, (2S,5R)-
CID 91980008
2-Butyl-5,6-dihydro-2,4-dimethyl-2H-pyran
CID 3017306
E-Ocimene oxide
CID 6429141
Epoxycimene
CID 11228905
(3R)-3,7-dimethyl-3-prop-2-ynoxyocta-1,6-diene
CID 44433587
(2E)-1-[(3S)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-diene
CID 162880600
2-Methyl-2-propyl-2,5-dihydrofuran
CID 12507025
5-Isopropenyl-3-isopropyl-2,2-dimethyl-2,5-dihydrofuran
CID 596568

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-methylbut-2-enyl]-4-prop-2-enoxycyclopentene?
The IUPAC name of 4-[(E)-2-methylbut-2-enyl]-4-prop-2-enoxycyclopentene (CID 101200203) is 4-[(E)-2-methylbut-2-enyl]-4-prop-2-enoxycyclopentene.
What is the SMILES notation for 4-[(E)-2-methylbut-2-enyl]-4-prop-2-enoxycyclopentene?
The canonical SMILES for 4-[(E)-2-methylbut-2-enyl]-4-prop-2-enoxycyclopentene is C=CCOC1(C/C(C)=C/C)CC=CC1.
What is the InChIKey of 4-[(E)-2-methylbut-2-enyl]-4-prop-2-enoxycyclopentene?
The InChIKey is CQUIJSYCPGACMG-LFYBBSHMSA-N. The full InChI is InChI=1S/C13H20O/c1-4-10-14-13(8-6-7-9-13)11-12(3)5-2/h4-7H,1,8-11H2,2-3H3/b12-5+.
What are the key properties of 4-[(E)-2-methylbut-2-enyl]-4-prop-2-enoxycyclopentene?
4-[(E)-2-methylbut-2-enyl]-4-prop-2-enoxycyclopentene has a molecular weight of 192.30 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-methylbut-2-enyl]-4-prop-2-enoxycyclopentene is sourced from PubChem (CID 101200203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).