methane;(3R)-3-(3-methoxypropyl)-2-prop-2-enylcyclopentan-1-one

C13H24O2 — CID 146282537

IUPACmethane;(3R)-3-(3-methoxypropyl)-2-prop-2-enylcyclopentan-1-one
SMILESC.C=CCC1C(=O)CC[C@H]1CCCOC
InChIInChI=1S/C12H20O2.CH4/c1-3-5-11-10(6-4-9-14-2)7-8-12(11)13;/h3,10-11H,1,4-9H2,2H3;1H4/t10-,11?;/m1./s1
InChIKeyQEFBDFQODSWIIL-QUUNXCOLSA-N
MW212.33 g/mol
LogP3.22
Rot. Bonds6

About methane;(3R)-3-(3-methoxypropyl)-2-prop-2-enylcyclopentan-1-one

methane;(3R)-3-(3-methoxypropyl)-2-prop-2-enylcyclopentan-1-one (PubChem CID 146282537) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is methane;(3R)-3-(3-methoxypropyl)-2-prop-2-enylcyclopentan-1-one.

Molecular Properties

Compound Namemethane;(3R)-3-(3-methoxypropyl)-2-prop-2-enylcyclopentan-1-one
PubChem CID146282537
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Namemethane;(3R)-3-(3-methoxypropyl)-2-prop-2-enylcyclopentan-1-one
SMILESC.C=CCC1C(=O)CC[C@H]1CCCOC
InChIInChI=1S/C12H20O2.CH4/c1-3-5-11-10(6-4-9-14-2)7-8-12(11)13;/h3,10-11H,1,4-9H2,2H3;1H4/t10-,11?;/m1./s1
InChIKeyQEFBDFQODSWIIL-QUUNXCOLSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.22
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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Frequently Asked Questions

What is the IUPAC name of methane;(3R)-3-(3-methoxypropyl)-2-prop-2-enylcyclopentan-1-one?
The IUPAC name of methane;(3R)-3-(3-methoxypropyl)-2-prop-2-enylcyclopentan-1-one (CID 146282537) is methane;(3R)-3-(3-methoxypropyl)-2-prop-2-enylcyclopentan-1-one.
What is the SMILES notation for methane;(3R)-3-(3-methoxypropyl)-2-prop-2-enylcyclopentan-1-one?
The canonical SMILES for methane;(3R)-3-(3-methoxypropyl)-2-prop-2-enylcyclopentan-1-one is C.C=CCC1C(=O)CC[C@H]1CCCOC.
What is the InChIKey of methane;(3R)-3-(3-methoxypropyl)-2-prop-2-enylcyclopentan-1-one?
The InChIKey is QEFBDFQODSWIIL-QUUNXCOLSA-N. The full InChI is InChI=1S/C12H20O2.CH4/c1-3-5-11-10(6-4-9-14-2)7-8-12(11)13;/h3,10-11H,1,4-9H2,2H3;1H4/t10-,11?;/m1./s1.
What are the key properties of methane;(3R)-3-(3-methoxypropyl)-2-prop-2-enylcyclopentan-1-one?
methane;(3R)-3-(3-methoxypropyl)-2-prop-2-enylcyclopentan-1-one has a molecular weight of 212.33 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(3R)-3-(3-methoxypropyl)-2-prop-2-enylcyclopentan-1-one is sourced from PubChem (CID 146282537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).