(5E)-5-methylcyclodec-5-en-1-one

C11H18O — CID 91999236

IUPAC(5E)-5-methylcyclodec-5-en-1-one
SMILESC/C1=C\CCCCC(=O)CCC1
InChIInChI=1S/C11H18O/c1-10-6-3-2-4-8-11(12)9-5-7-10/h6H,2-5,7-9H2,1H3/b10-6+
InChIKeyHNZRUPSHKQVDJN-UXBLZVDNSA-N
MW166.26 g/mol
LogP3.25
Rot. Bonds

About (5E)-5-methylcyclodec-5-en-1-one

(5E)-5-methylcyclodec-5-en-1-one (PubChem CID 91999236) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (5E)-5-methylcyclodec-5-en-1-one.

Molecular Properties

Compound Name(5E)-5-methylcyclodec-5-en-1-one
PubChem CID91999236
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(5E)-5-methylcyclodec-5-en-1-one
SMILESC/C1=C\CCCCC(=O)CCC1
InChIInChI=1S/C11H18O/c1-10-6-3-2-4-8-11(12)9-5-7-10/h6H,2-5,7-9H2,1H3/b10-6+
InChIKeyHNZRUPSHKQVDJN-UXBLZVDNSA-N
XLogP3.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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carbanide;(1Z)-1-methylcyclooctene;platinum(2+)
CID 170661208
(3E,11E)-3,12-dimethylcyclotrideca-3,11-dien-1-one
CID 58612496
3-methylbutan-2-ol;1-methylcyclohexene
CID 67860970
(6Z)-6-methyl-1-oxacyclohexadec-6-en-3-one
CID 168932403
cyclohexanone;cyclohexene
CID 67659841
(10Z)-cycloicos-10-en-1-one
CID 11254844
(6E,10Z)-cyclopentadeca-6,10-dien-1-one
CID 12036583
(5E)-cycloheptadec-5-en-1-one
CID 13199934
(2E,6Z)-2,6-dimethylcyclodeca-2,6-dien-1-one
CID 131886364
(12-methyl-1-oxacycloheptadec-12-en-2-yl)phosphane
CID 123277698

Frequently Asked Questions

What is the IUPAC name of (5E)-5-methylcyclodec-5-en-1-one?
The IUPAC name of (5E)-5-methylcyclodec-5-en-1-one (CID 91999236) is (5E)-5-methylcyclodec-5-en-1-one.
What is the SMILES notation for (5E)-5-methylcyclodec-5-en-1-one?
The canonical SMILES for (5E)-5-methylcyclodec-5-en-1-one is C/C1=C\CCCCC(=O)CCC1.
What is the InChIKey of (5E)-5-methylcyclodec-5-en-1-one?
The InChIKey is HNZRUPSHKQVDJN-UXBLZVDNSA-N. The full InChI is InChI=1S/C11H18O/c1-10-6-3-2-4-8-11(12)9-5-7-10/h6H,2-5,7-9H2,1H3/b10-6+.
What are the key properties of (5E)-5-methylcyclodec-5-en-1-one?
(5E)-5-methylcyclodec-5-en-1-one has a molecular weight of 166.26 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-methylcyclodec-5-en-1-one is sourced from PubChem (CID 91999236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).