2-[2-(3-methylbut-3-enoxy)ethyl]cyclopentan-1-one

C12H20O2 — CID 114470358

IUPAC2-[2-(3-methylbut-3-enoxy)ethyl]cyclopentan-1-one
SMILESC=C(C)CCOCCC1CCCC1=O
InChIInChI=1S/C12H20O2/c1-10(2)6-8-14-9-7-11-4-3-5-12(11)13/h11H,1,3-9H2,2H3
InChIKeyBVVSDWSIHNRFEN-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.73
Rot. Bonds6

About 2-[2-(3-methylbut-3-enoxy)ethyl]cyclopentan-1-one

2-[2-(3-methylbut-3-enoxy)ethyl]cyclopentan-1-one (PubChem CID 114470358) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-[2-(3-methylbut-3-enoxy)ethyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[2-(3-methylbut-3-enoxy)ethyl]cyclopentan-1-one
PubChem CID114470358
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-[2-(3-methylbut-3-enoxy)ethyl]cyclopentan-1-one
SMILESC=C(C)CCOCCC1CCCC1=O
InChIInChI=1S/C12H20O2/c1-10(2)6-8-14-9-7-11-4-3-5-12(11)13/h11H,1,3-9H2,2H3
InChIKeyBVVSDWSIHNRFEN-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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Related Compounds

(3-Oxo-2-pent-1-en-2-ylcyclopentyl) propanoate
CID 70601951
2-(2-But-3-enoxyethyl)cyclopentan-1-one
CID 79565442
7-Methyl-4-(prop-1-en-2-yloxymethyl)oct-7-en-2-one
CID 170278147
2-(2-Methoxyprop-2-enyl)cyclopentan-1-one
CID 11084087
2-(2-Pent-4-enoxyethyl)cyclopentan-1-one
CID 79564959
1-Cyclopentyl-2-(3-methylbut-3-enoxy)ethanone
CID 114470343

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylbut-3-enoxy)ethyl]cyclopentan-1-one?
The IUPAC name of 2-[2-(3-methylbut-3-enoxy)ethyl]cyclopentan-1-one (CID 114470358) is 2-[2-(3-methylbut-3-enoxy)ethyl]cyclopentan-1-one.
What is the SMILES notation for 2-[2-(3-methylbut-3-enoxy)ethyl]cyclopentan-1-one?
The canonical SMILES for 2-[2-(3-methylbut-3-enoxy)ethyl]cyclopentan-1-one is C=C(C)CCOCCC1CCCC1=O.
What is the InChIKey of 2-[2-(3-methylbut-3-enoxy)ethyl]cyclopentan-1-one?
The InChIKey is BVVSDWSIHNRFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-10(2)6-8-14-9-7-11-4-3-5-12(11)13/h11H,1,3-9H2,2H3.
What are the key properties of 2-[2-(3-methylbut-3-enoxy)ethyl]cyclopentan-1-one?
2-[2-(3-methylbut-3-enoxy)ethyl]cyclopentan-1-one 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 2-[2-(3-methylbut-3-enoxy)ethyl]cyclopentan-1-one is sourced from PubChem (CID 114470358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).