2-[2-[(E)-2-methoxyprop-1-enyl]cyclopenten-1-yl]-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione

C20H28O5 — CID 10315733

IUPAC2-[2-[(E)-2-methoxyprop-1-enyl]cyclopenten-1-yl]-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione
SMILESCO/C(C)=C/C1=C(C2C(=O)C(OC(C)C)=C(OC(C)C)C2=O)CCC1
InChIInChI=1S/C20H28O5/c1-11(2)24-19-17(21)16(18(22)20(19)25-12(3)4)15-9-7-8-14(15)10-13(5)23-6/h10-12,16H,7-9H2,1-6H3/b13-10+
InChIKeyUOYDJMPNCXMZRN-JLHYYAGUSA-N
MW348.44 g/mol
LogP3.85
Rot. Bonds7

About 2-[2-[(E)-2-methoxyprop-1-enyl]cyclopenten-1-yl]-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione

2-[2-[(E)-2-methoxyprop-1-enyl]cyclopenten-1-yl]-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione (PubChem CID 10315733) has the molecular formula C20H28O5 and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-[2-[(E)-2-methoxyprop-1-enyl]cyclopenten-1-yl]-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione.

Molecular Properties

Compound Name2-[2-[(E)-2-methoxyprop-1-enyl]cyclopenten-1-yl]-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione
PubChem CID10315733
Molecular FormulaC20H28O5
Molecular Weight348.44 g/mol
Exact Mass348.19
IUPAC Name2-[2-[(E)-2-methoxyprop-1-enyl]cyclopenten-1-yl]-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione
SMILESCO/C(C)=C/C1=C(C2C(=O)C(OC(C)C)=C(OC(C)C)C2=O)CCC1
InChIInChI=1S/C20H28O5/c1-11(2)24-19-17(21)16(18(22)20(19)25-12(3)4)15-9-7-8-14(15)10-13(5)23-6/h10-12,16H,7-9H2,1-6H3/b13-10+
InChIKeyUOYDJMPNCXMZRN-JLHYYAGUSA-N
XLogP3.85
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-2-methoxyhex-2-en-3-yl]-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione
CID 10471502
2-[(4E,6E)-5-methoxyocta-4,6-dien-4-yl]-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione
CID 9975184
2-[(Z)-2-methoxyhex-2-en-3-yl]-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione
CID 9996376
4-methyl-2-[(4S)-4-(3-methylbutyl)-2-(2-methylpropanoyl)-3-oxocyclopenten-1-yl]oxypent-3-enal
CID 137473652
4-methyl-2-[(4S)-2-(3-methylbutanoyl)-4-(3-methylbut-2-enyl)-3-oxocyclopenten-1-yl]oxypentanal
CID 137473684
2-[(E)-1-cyclopropyl-1-methoxypent-1-en-2-yl]-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione
CID 10043477
2-[7-[2,5-Dioxo-3,4-di(propan-2-yloxy)cyclopent-3-en-1-yl]-2,8-dioxononan-3-yl]-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione
CID 10076868
2-[(2E,7Z)-7-[2,5-dioxo-3,4-di(propan-2-yloxy)cyclopent-3-en-1-yl]-2,8-dimethoxynona-2,7-dien-3-yl]-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione
CID 10326309
(3aR,6aS)-2,3-diisopropoxy-3a-methyl-6-methylene-4,5,6,6a-tetrahydro-1(3aH)-pentalenone
CID 95565599

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-methoxyprop-1-enyl]cyclopenten-1-yl]-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione?
The IUPAC name of 2-[2-[(E)-2-methoxyprop-1-enyl]cyclopenten-1-yl]-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione (CID 10315733) is 2-[2-[(E)-2-methoxyprop-1-enyl]cyclopenten-1-yl]-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione.
What is the SMILES notation for 2-[2-[(E)-2-methoxyprop-1-enyl]cyclopenten-1-yl]-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione?
The canonical SMILES for 2-[2-[(E)-2-methoxyprop-1-enyl]cyclopenten-1-yl]-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione is CO/C(C)=C/C1=C(C2C(=O)C(OC(C)C)=C(OC(C)C)C2=O)CCC1.
What is the InChIKey of 2-[2-[(E)-2-methoxyprop-1-enyl]cyclopenten-1-yl]-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione?
The InChIKey is UOYDJMPNCXMZRN-JLHYYAGUSA-N. The full InChI is InChI=1S/C20H28O5/c1-11(2)24-19-17(21)16(18(22)20(19)25-12(3)4)15-9-7-8-14(15)10-13(5)23-6/h10-12,16H,7-9H2,1-6H3/b13-10+.
What are the key properties of 2-[2-[(E)-2-methoxyprop-1-enyl]cyclopenten-1-yl]-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione?
2-[2-[(E)-2-methoxyprop-1-enyl]cyclopenten-1-yl]-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione has a molecular weight of 348.44 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-methoxyprop-1-enyl]cyclopenten-1-yl]-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione is sourced from PubChem (CID 10315733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).