(2Z)-3-[(E)-2-methoxyethenyl]-2-[2-(methoxymethoxy)ethylidene]cyclopentan-1-one

C12H18O4 — CID 23655067

IUPAC(2Z)-3-[(E)-2-methoxyethenyl]-2-[2-(methoxymethoxy)ethylidene]cyclopentan-1-one
SMILESCO/C=C/C1CCC(=O)/C1=C\COCOC
InChIInChI=1S/C12H18O4/c1-14-7-5-10-3-4-12(13)11(10)6-8-16-9-15-2/h5-7,10H,3-4,8-9H2,1-2H3/b7-5+,11-6-
InChIKeyJNBBDPRAZDDOCW-WXLRGLDMSA-N
MW226.27 g/mol
LogP1.67
Rot. Bonds6

About (2Z)-3-[(E)-2-methoxyethenyl]-2-[2-(methoxymethoxy)ethylidene]cyclopentan-1-one

(2Z)-3-[(E)-2-methoxyethenyl]-2-[2-(methoxymethoxy)ethylidene]cyclopentan-1-one (PubChem CID 23655067) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is (2Z)-3-[(E)-2-methoxyethenyl]-2-[2-(methoxymethoxy)ethylidene]cyclopentan-1-one.

Molecular Properties

Compound Name(2Z)-3-[(E)-2-methoxyethenyl]-2-[2-(methoxymethoxy)ethylidene]cyclopentan-1-one
PubChem CID23655067
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name(2Z)-3-[(E)-2-methoxyethenyl]-2-[2-(methoxymethoxy)ethylidene]cyclopentan-1-one
SMILESCO/C=C/C1CCC(=O)/C1=C\COCOC
InChIInChI=1S/C12H18O4/c1-14-7-5-10-3-4-12(13)11(10)6-8-16-9-15-2/h5-7,10H,3-4,8-9H2,1-2H3/b7-5+,11-6-
InChIKeyJNBBDPRAZDDOCW-WXLRGLDMSA-N
XLogP1.67
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-2-methoxyethenyl]cyclopropan-1-one
CID 170554718
2-(methoxymethoxymethyl)cyclopentane-1,3-dione
CID 23560436
(2Z)-2-benzylidene-3-[(E)-2-phenylmethoxyethenyl]cyclopentan-1-one
CID 101452822
3-methoxy-5-[(E)-2-methoxyethenyl]cyclopent-2-en-1-one
CID 14068214
2-methylidene-3-[(Z)-prop-1-enyl]cyclopentan-1-one
CID 5384425
(3E,4S,5R)-3-ethylidene-5-(methoxymethoxymethyl)-4-methyloxolan-2-one
CID 11356099
1-ethyl-4-(2-methoxyethenyl)cyclohexane
CID 91328086
(1R,5R,8R)-8-[(E)-2-methoxyethenyl]-2-oxabicyclo[3.2.1]octan-3-one
CID 134898119
(Z)-1-bromo-4-(methoxymethoxy)but-2-ene
CID 15327012
(Z)-1-chloro-4-(methoxymethoxy)but-2-ene
CID 15327011
(5R,9S)-9-(methoxymethoxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 124672662
4-(2-methoxyethenyl)cyclohexane-1-carbonitrile
CID 70406257

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-[(E)-2-methoxyethenyl]-2-[2-(methoxymethoxy)ethylidene]cyclopentan-1-one?
The IUPAC name of (2Z)-3-[(E)-2-methoxyethenyl]-2-[2-(methoxymethoxy)ethylidene]cyclopentan-1-one (CID 23655067) is (2Z)-3-[(E)-2-methoxyethenyl]-2-[2-(methoxymethoxy)ethylidene]cyclopentan-1-one.
What is the SMILES notation for (2Z)-3-[(E)-2-methoxyethenyl]-2-[2-(methoxymethoxy)ethylidene]cyclopentan-1-one?
The canonical SMILES for (2Z)-3-[(E)-2-methoxyethenyl]-2-[2-(methoxymethoxy)ethylidene]cyclopentan-1-one is CO/C=C/C1CCC(=O)/C1=C\COCOC.
What is the InChIKey of (2Z)-3-[(E)-2-methoxyethenyl]-2-[2-(methoxymethoxy)ethylidene]cyclopentan-1-one?
The InChIKey is JNBBDPRAZDDOCW-WXLRGLDMSA-N. The full InChI is InChI=1S/C12H18O4/c1-14-7-5-10-3-4-12(13)11(10)6-8-16-9-15-2/h5-7,10H,3-4,8-9H2,1-2H3/b7-5+,11-6-.
What are the key properties of (2Z)-3-[(E)-2-methoxyethenyl]-2-[2-(methoxymethoxy)ethylidene]cyclopentan-1-one?
(2Z)-3-[(E)-2-methoxyethenyl]-2-[2-(methoxymethoxy)ethylidene]cyclopentan-1-one has a molecular weight of 226.27 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-[(E)-2-methoxyethenyl]-2-[2-(methoxymethoxy)ethylidene]cyclopentan-1-one is sourced from PubChem (CID 23655067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).