2-(propoxymethyl)cyclopent-2-en-1-one

C9H14O2 — CID 144825927

IUPAC2-(propoxymethyl)cyclopent-2-en-1-one
SMILESCCCOCC1=CCCC1=O
InChIInChI=1S/C9H14O2/c1-2-6-11-7-8-4-3-5-9(8)10/h4H,2-3,5-7H2,1H3
InChIKeyDWOZJYNMPJCCNE-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.70
Rot. Bonds4

About 2-(propoxymethyl)cyclopent-2-en-1-one

2-(propoxymethyl)cyclopent-2-en-1-one (PubChem CID 144825927) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(propoxymethyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-(propoxymethyl)cyclopent-2-en-1-one
PubChem CID144825927
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-(propoxymethyl)cyclopent-2-en-1-one
SMILESCCCOCC1=CCCC1=O
InChIInChI=1S/C9H14O2/c1-2-6-11-7-8-4-3-5-9(8)10/h4H,2-3,5-7H2,1H3
InChIKeyDWOZJYNMPJCCNE-UHFFFAOYSA-N
XLogP1.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Crotonyloxymethyl-2-cyclohexenone
CID 6439061
(5-oxocyclopenten-1-yl)methyl (E)-but-2-enoate
CID 10397387
Dihydroechinofuran
CID 13850222
(6E,10E,11aR)-3,6,10-trimethyl-5,8,9,11a-tetrahydrocyclodeca[b]furan-2,4-dione
CID 163012608
2,6-Dimethyl-3-methoxymethyl-p-benzoquinone
CID 6430513
mollisolactone A
CID 54421891
mollisolactone B
CID 127036038
2-[(2S)-4-(4-methylpent-3-enyl)-2,5-dihydrofuran-2-yl]cyclohexa-2,5-diene-1,4-dione
CID 163003273
(5-Oxocyclopenten-1-yl)methyl acetate
CID 328560
Zrbiijnqslhraq-uhfffaoysa-
CID 11138069
(4S)-4-methoxy-2-methylcyclopent-2-en-1-one
CID 11018868
2-Butenoic acid,(6-oxo-1-cyclohexen-1-yl)methyl ester
CID 129222

Frequently Asked Questions

What is the IUPAC name of 2-(propoxymethyl)cyclopent-2-en-1-one?
The IUPAC name of 2-(propoxymethyl)cyclopent-2-en-1-one (CID 144825927) is 2-(propoxymethyl)cyclopent-2-en-1-one.
What is the SMILES notation for 2-(propoxymethyl)cyclopent-2-en-1-one?
The canonical SMILES for 2-(propoxymethyl)cyclopent-2-en-1-one is CCCOCC1=CCCC1=O.
What is the InChIKey of 2-(propoxymethyl)cyclopent-2-en-1-one?
The InChIKey is DWOZJYNMPJCCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-6-11-7-8-4-3-5-9(8)10/h4H,2-3,5-7H2,1H3.
What are the key properties of 2-(propoxymethyl)cyclopent-2-en-1-one?
2-(propoxymethyl)cyclopent-2-en-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propoxymethyl)cyclopent-2-en-1-one is sourced from PubChem (CID 144825927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).