1-cyclopentyl-2-(3-methylbut-3-enoxy)ethanone

C12H20O2 — CID 114470343

IUPAC1-cyclopentyl-2-(3-methylbut-3-enoxy)ethanone
SMILESC=C(C)CCOCC(=O)C1CCCC1
InChIInChI=1S/C12H20O2/c1-10(2)7-8-14-9-12(13)11-5-3-4-6-11/h11H,1,3-9H2,2H3
InChIKeyRRMWCMQHAFUQCH-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.73
Rot. Bonds6

About 1-cyclopentyl-2-(3-methylbut-3-enoxy)ethanone

1-cyclopentyl-2-(3-methylbut-3-enoxy)ethanone (PubChem CID 114470343) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-cyclopentyl-2-(3-methylbut-3-enoxy)ethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-(3-methylbut-3-enoxy)ethanone
PubChem CID114470343
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1-cyclopentyl-2-(3-methylbut-3-enoxy)ethanone
SMILESC=C(C)CCOCC(=O)C1CCCC1
InChIInChI=1S/C12H20O2/c1-10(2)7-8-14-9-12(13)11-5-3-4-6-11/h11H,1,3-9H2,2H3
InChIKeyRRMWCMQHAFUQCH-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.73
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 1-cyclopentyl-2-(3-methylbut-3-enoxy)ethanone?
The IUPAC name of 1-cyclopentyl-2-(3-methylbut-3-enoxy)ethanone (CID 114470343) is 1-cyclopentyl-2-(3-methylbut-3-enoxy)ethanone.
What is the SMILES notation for 1-cyclopentyl-2-(3-methylbut-3-enoxy)ethanone?
The canonical SMILES for 1-cyclopentyl-2-(3-methylbut-3-enoxy)ethanone is C=C(C)CCOCC(=O)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(3-methylbut-3-enoxy)ethanone?
The InChIKey is RRMWCMQHAFUQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-10(2)7-8-14-9-12(13)11-5-3-4-6-11/h11H,1,3-9H2,2H3.
What are the key properties of 1-cyclopentyl-2-(3-methylbut-3-enoxy)ethanone?
1-cyclopentyl-2-(3-methylbut-3-enoxy)ethanone has a molecular weight of 196.29 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(3-methylbut-3-enoxy)ethanone is sourced from PubChem (CID 114470343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).