(2E)-cyclononadec-2-en-1-one

C19H34O — CID 171377738

IUPAC(2E)-cyclononadec-2-en-1-one
SMILESO=C1/C=C/CCCCCCCCCCCCCCCC1
InChIInChI=1S/C19H34O/c20-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-19/h15,17H,1-14,16,18H2/b17-15+
InChIKeyDDQSUDWCNQETJW-BMRADRMJSA-N
MW278.48 g/mol
LogP6.37
Rot. Bonds

About (2E)-cyclononadec-2-en-1-one

(2E)-cyclononadec-2-en-1-one (PubChem CID 171377738) has the molecular formula C19H34O and a molecular weight of 278.48 g/mol. Its IUPAC name is (2E)-cyclononadec-2-en-1-one.

Molecular Properties

Compound Name(2E)-cyclononadec-2-en-1-one
PubChem CID171377738
Molecular FormulaC19H34O
Molecular Weight278.48 g/mol
Exact Mass278.26
IUPAC Name(2E)-cyclononadec-2-en-1-one
SMILESO=C1/C=C/CCCCCCCCCCCCCCCC1
InChIInChI=1S/C19H34O/c20-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-19/h15,17H,1-14,16,18H2/b17-15+
InChIKeyDDQSUDWCNQETJW-BMRADRMJSA-N
XLogP6.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 10149582
(2E)-cyclooct-2-en-1-one
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(9E,21E)-cyclodocosa-9,21-diene-1,8-dione
CID 10193416
(2Z,7Z)-cyclononadeca-2,7-diene-1,9-dione
CID 23567733
(2E,6E)-cyclooctadeca-2,6-diene-1,8-dione
CID 58620253
(2Z,6E)-cyclooctadeca-2,6-diene-1,8-dione
CID 23567736
cyclohex-2-en-1-one;dihydrochloride
CID 21391808
CID 68518361
CID 68518361
(2Z,8E)-cycloundeca-2,8-dien-1-one
CID 171377468
(8E)-bicyclo[12.1.0]pentadec-8-en-7-one
CID 87257523
cyclohexadeca-2,4-dien-1-one
CID 154444863
cyclohex-2-en-1-one;piperidine
CID 163560631

Frequently Asked Questions

What is the IUPAC name of (2E)-cyclononadec-2-en-1-one?
The IUPAC name of (2E)-cyclononadec-2-en-1-one (CID 171377738) is (2E)-cyclononadec-2-en-1-one.
What is the SMILES notation for (2E)-cyclononadec-2-en-1-one?
The canonical SMILES for (2E)-cyclononadec-2-en-1-one is O=C1/C=C/CCCCCCCCCCCCCCCC1.
What is the InChIKey of (2E)-cyclononadec-2-en-1-one?
The InChIKey is DDQSUDWCNQETJW-BMRADRMJSA-N. The full InChI is InChI=1S/C19H34O/c20-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-19/h15,17H,1-14,16,18H2/b17-15+.
What are the key properties of (2E)-cyclononadec-2-en-1-one?
(2E)-cyclononadec-2-en-1-one has a molecular weight of 278.48 g/mol, XLogP of 6.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-cyclononadec-2-en-1-one is sourced from PubChem (CID 171377738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).