4-[(2-methylpropan-2-yl)oxy]-2-non-2-enylcyclopent-2-en-1-one

C18H30O2 — CID 72609013

IUPAC4-[(2-methylpropan-2-yl)oxy]-2-non-2-enylcyclopent-2-en-1-one
SMILESCCCCCCC=CCC1=CC(OC(C)(C)C)CC1=O
InChIInChI=1S/C18H30O2/c1-5-6-7-8-9-10-11-12-15-13-16(14-17(15)19)20-18(2,3)4/h10-11,13,16H,5-9,12,14H2,1-4H3
InChIKeyKPUOZPYPRCSRFF-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.99
Rot. Bonds8

About 4-[(2-methylpropan-2-yl)oxy]-2-non-2-enylcyclopent-2-en-1-one

4-[(2-methylpropan-2-yl)oxy]-2-non-2-enylcyclopent-2-en-1-one (PubChem CID 72609013) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxy]-2-non-2-enylcyclopent-2-en-1-one.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxy]-2-non-2-enylcyclopent-2-en-1-one
PubChem CID72609013
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name4-[(2-methylpropan-2-yl)oxy]-2-non-2-enylcyclopent-2-en-1-one
SMILESCCCCCCC=CCC1=CC(OC(C)(C)C)CC1=O
InChIInChI=1S/C18H30O2/c1-5-6-7-8-9-10-11-12-15-13-16(14-17(15)19)20-18(2,3)4/h10-11,13,16H,5-9,12,14H2,1-4H3
InChIKeyKPUOZPYPRCSRFF-UHFFFAOYSA-N
XLogP4.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(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
(6E,14E,15aS)-3,6,14-trimethyl-10-methylidene-5,8,9,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-2,11-dione
CID 56683167
methyl (6E,10Z,14E,15aS)-3,6,14-trimethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylate
CID 10359306
2-[(2S)-4-(4-methylpent-3-enyl)-2,5-dihydrofuran-2-yl]cyclohexa-2,5-diene-1,4-dione
CID 163003273
[(4S,6E,10E,11aR)-3-(acetyloxymethyl)-6,10-dimethyl-2,8-dioxo-4,5,9,11a-tetrahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
CID 163043932
(5-Oxocyclopenten-1-yl)methyl acetate
CID 328560
3-Allyl-2-methyl-4-oxocyclopent-2-en-1-yl 3-methylbut-2-enoate
CID 225871
(4S)-4-methoxy-2-methylcyclopent-2-en-1-one
CID 11018868
2-Methyl-4-oxo-3-(prop-2-en-1-yl)cyclopent-2-en-1-yl acetate
CID 13102760
methyl (Z)-7-(3-methoxy-5-oxocyclopenten-1-yl)hept-5-enoate
CID 70584921

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxy]-2-non-2-enylcyclopent-2-en-1-one?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxy]-2-non-2-enylcyclopent-2-en-1-one (CID 72609013) is 4-[(2-methylpropan-2-yl)oxy]-2-non-2-enylcyclopent-2-en-1-one.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxy]-2-non-2-enylcyclopent-2-en-1-one?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxy]-2-non-2-enylcyclopent-2-en-1-one is CCCCCCC=CCC1=CC(OC(C)(C)C)CC1=O.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxy]-2-non-2-enylcyclopent-2-en-1-one?
The InChIKey is KPUOZPYPRCSRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-5-6-7-8-9-10-11-12-15-13-16(14-17(15)19)20-18(2,3)4/h10-11,13,16H,5-9,12,14H2,1-4H3.
What are the key properties of 4-[(2-methylpropan-2-yl)oxy]-2-non-2-enylcyclopent-2-en-1-one?
4-[(2-methylpropan-2-yl)oxy]-2-non-2-enylcyclopent-2-en-1-one has a molecular weight of 278.44 g/mol, XLogP of 4.99, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxy]-2-non-2-enylcyclopent-2-en-1-one is sourced from PubChem (CID 72609013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).