(E)-non-2-ene;2-[(E)-oct-2-enyl]cyclopentan-1-one

C22H40O — CID 174922472

IUPAC(E)-non-2-ene;2-[(E)-oct-2-enyl]cyclopentan-1-one
SMILESC/C=C/CCCCCC.CCCCC/C=C/CC1CCCC1=O
InChIInChI=1S/C13H22O.C9H18/c1-2-3-4-5-6-7-9-12-10-8-11-13(12)14;1-3-5-7-9-8-6-4-2/h6-7,12H,2-5,8-11H2,1H3;3,5H,4,6-9H2,1-2H3/b7-6+;5-3+
InChIKeyMUDODVBXAGMWLY-QVLDUDGTSA-N
MW320.56 g/mol
LogP7.42
Rot. Bonds11

About (E)-non-2-ene;2-[(E)-oct-2-enyl]cyclopentan-1-one

(E)-non-2-ene;2-[(E)-oct-2-enyl]cyclopentan-1-one (PubChem CID 174922472) has the molecular formula C22H40O and a molecular weight of 320.56 g/mol. Its IUPAC name is (E)-non-2-ene;2-[(E)-oct-2-enyl]cyclopentan-1-one.

Molecular Properties

Compound Name(E)-non-2-ene;2-[(E)-oct-2-enyl]cyclopentan-1-one
PubChem CID174922472
Molecular FormulaC22H40O
Molecular Weight320.56 g/mol
Exact Mass320.31
IUPAC Name(E)-non-2-ene;2-[(E)-oct-2-enyl]cyclopentan-1-one
SMILESC/C=C/CCCCCC.CCCCC/C=C/CC1CCCC1=O
InChIInChI=1S/C13H22O.C9H18/c1-2-3-4-5-6-7-9-12-10-8-11-13(12)14;1-3-5-7-9-8-6-4-2/h6-7,12H,2-5,8-11H2,1H3;3,5H,4,6-9H2,1-2H3/b7-6+;5-3+
InChIKeyMUDODVBXAGMWLY-QVLDUDGTSA-N
XLogP7.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.56
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(2S)-2-[(E)-oct-2-enyl]cyclopentan-1-one
CID 76967590
2-[(E)-but-2-enyl]cyclopentan-1-one
CID 14959733
2-[(E)-4-(2-oxocyclopentyl)but-2-enyl]cyclopentan-1-one
CID 166722235
2-but-2-enylcyclohexan-1-one
CID 54275877
2-decylcyclopentan-1-one
CID 12823821
octadeca-2,10-diene
CID 54270716
(2E,8Z)-pentadeca-2,8-diene
CID 173032001
dec-2-ene;oxolane-2,5-dione
CID 175141022
pentadeca-2,6-diene
CID 165019979
(Z)-icos-2-ene
CID 5352524
2-[(E)-hept-2-enyl]-6-methylcyclohexan-1-one
CID 10867518
pentadeca-2,10-diene
CID 174048350

Frequently Asked Questions

What is the IUPAC name of (E)-non-2-ene;2-[(E)-oct-2-enyl]cyclopentan-1-one?
The IUPAC name of (E)-non-2-ene;2-[(E)-oct-2-enyl]cyclopentan-1-one (CID 174922472) is (E)-non-2-ene;2-[(E)-oct-2-enyl]cyclopentan-1-one.
What is the SMILES notation for (E)-non-2-ene;2-[(E)-oct-2-enyl]cyclopentan-1-one?
The canonical SMILES for (E)-non-2-ene;2-[(E)-oct-2-enyl]cyclopentan-1-one is C/C=C/CCCCCC.CCCCC/C=C/CC1CCCC1=O.
What is the InChIKey of (E)-non-2-ene;2-[(E)-oct-2-enyl]cyclopentan-1-one?
The InChIKey is MUDODVBXAGMWLY-QVLDUDGTSA-N. The full InChI is InChI=1S/C13H22O.C9H18/c1-2-3-4-5-6-7-9-12-10-8-11-13(12)14;1-3-5-7-9-8-6-4-2/h6-7,12H,2-5,8-11H2,1H3;3,5H,4,6-9H2,1-2H3/b7-6+;5-3+.
What are the key properties of (E)-non-2-ene;2-[(E)-oct-2-enyl]cyclopentan-1-one?
(E)-non-2-ene;2-[(E)-oct-2-enyl]cyclopentan-1-one has a molecular weight of 320.56 g/mol, XLogP of 7.42, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-non-2-ene;2-[(E)-oct-2-enyl]cyclopentan-1-one is sourced from PubChem (CID 174922472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).