2-(1-methoxypropyl)-3-methyl-4-methylidenecyclopentan-1-one

C11H18O2 — CID 148961764

IUPAC2-(1-methoxypropyl)-3-methyl-4-methylidenecyclopentan-1-one
SMILESC=C1CC(=O)C(C(CC)OC)C1C
InChIInChI=1S/C11H18O2/c1-5-10(13-4)11-8(3)7(2)6-9(11)12/h8,10-11H,2,5-6H2,1,3-4H3
InChIKeyPRYLSZWVDJVDSS-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.19
Rot. Bonds3

About 2-(1-methoxypropyl)-3-methyl-4-methylidenecyclopentan-1-one

2-(1-methoxypropyl)-3-methyl-4-methylidenecyclopentan-1-one (PubChem CID 148961764) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-(1-methoxypropyl)-3-methyl-4-methylidenecyclopentan-1-one.

Molecular Properties

Compound Name2-(1-methoxypropyl)-3-methyl-4-methylidenecyclopentan-1-one
PubChem CID148961764
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-(1-methoxypropyl)-3-methyl-4-methylidenecyclopentan-1-one
SMILESC=C1CC(=O)C(C(CC)OC)C1C
InChIInChI=1S/C11H18O2/c1-5-10(13-4)11-8(3)7(2)6-9(11)12/h8,10-11H,2,5-6H2,1,3-4H3
InChIKeyPRYLSZWVDJVDSS-UHFFFAOYSA-N
XLogP2.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-ethyl (1R,2R)-2-methyl-1-(2-methylprop-2-enyl)-5-oxocyclopentane-1-carboxylate
CID 11075059
Methyl 2-oxo-5-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 12476146
1-[(1S,2S)-2-methoxy-4-methylidenecyclopentyl]ethanone
CID 134980986
cis-methyl (1R,2R)-2-methyl-1-(3-methylbut-3-enyl)-5-oxocyclopentane-1-carboxylate
CID 138982934
Ethyl 2-isopropenyl-5-oxocyclopentanecarboxylate
CID 14194538
Methyl 2-methyl-1-(2-methylidenebutyl)-5-oxocyclopentane-1-carboxylate
CID 21676136
cis-methyl (1S,5R)-2-oxo-5-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 101656466
[(1R,2R)-2-methyl-1-[(1S)-2-methyl-5-oxocyclopentyl]pent-4-enyl] acetate
CID 58013701
(2S)-2-[(1R,2R)-5,5-dideuterio-1-hydroxy-2-methylpent-4-enyl]-3-methylcyclopentan-1-one
CID 58661612
actinium;(2S)-2-[(1R,2R)-1-hydroxy-2-methylpent-4-enyl]-3-methylcyclopentan-1-one
CID 59090545
3-Methoxy-1-(4-methylidenecyclohexyl)propan-1-one
CID 59992626
(3-Oxo-2-pent-1-en-2-ylcyclopentyl) propanoate
CID 70601951

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropyl)-3-methyl-4-methylidenecyclopentan-1-one?
The IUPAC name of 2-(1-methoxypropyl)-3-methyl-4-methylidenecyclopentan-1-one (CID 148961764) is 2-(1-methoxypropyl)-3-methyl-4-methylidenecyclopentan-1-one.
What is the SMILES notation for 2-(1-methoxypropyl)-3-methyl-4-methylidenecyclopentan-1-one?
The canonical SMILES for 2-(1-methoxypropyl)-3-methyl-4-methylidenecyclopentan-1-one is C=C1CC(=O)C(C(CC)OC)C1C.
What is the InChIKey of 2-(1-methoxypropyl)-3-methyl-4-methylidenecyclopentan-1-one?
The InChIKey is PRYLSZWVDJVDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-5-10(13-4)11-8(3)7(2)6-9(11)12/h8,10-11H,2,5-6H2,1,3-4H3.
What are the key properties of 2-(1-methoxypropyl)-3-methyl-4-methylidenecyclopentan-1-one?
2-(1-methoxypropyl)-3-methyl-4-methylidenecyclopentan-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropyl)-3-methyl-4-methylidenecyclopentan-1-one is sourced from PubChem (CID 148961764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).