(2Z,19Z)-henicosa-2,19-dien-11-one

C21H38O — CID 170029762

IUPAC(2Z,19Z)-henicosa-2,19-dien-11-one
SMILESC/C=C\CCCCCCCC(=O)CCCCCCC/C=C\C
InChIInChI=1S/C21H38O/c1-3-5-7-9-11-13-15-17-19-21(22)20-18-16-14-12-10-8-6-4-2/h3-6H,7-20H2,1-2H3/b5-3-,6-4-
InChIKeyQNUWTDJXKXRIRM-GLIMQPGKSA-N
MW306.53 g/mol
LogP7.17
Rot. Bonds16

About (2Z,19Z)-henicosa-2,19-dien-11-one

(2Z,19Z)-henicosa-2,19-dien-11-one (PubChem CID 170029762) has the molecular formula C21H38O and a molecular weight of 306.53 g/mol. Its IUPAC name is (2Z,19Z)-henicosa-2,19-dien-11-one.

Molecular Properties

Compound Name(2Z,19Z)-henicosa-2,19-dien-11-one
PubChem CID170029762
Molecular FormulaC21H38O
Molecular Weight306.53 g/mol
Exact Mass306.29
IUPAC Name(2Z,19Z)-henicosa-2,19-dien-11-one
SMILESC/C=C\CCCCCCCC(=O)CCCCCCC/C=C\C
InChIInChI=1S/C21H38O/c1-3-5-7-9-11-13-15-17-19-21(22)20-18-16-14-12-10-8-6-4-2/h3-6H,7-20H2,1-2H3/b5-3-,6-4-
InChIKeyQNUWTDJXKXRIRM-GLIMQPGKSA-N
XLogP7.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.53
LogP ≤ 57.17
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

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CID 22074109
heptadec-2-en-7-one
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(Z)-non-7-enamide
CID 5365368
(E)-triacont-15-ene-8,23-dione
CID 11849500
heptan-3-one;non-2-ene
CID 175423097
non-7-en-3-one
CID 56994302
hentriaconta-2,10,29-triene
CID 150025785
bis(dodeca-2,10-diene);methane
CID 159815244
icosa-2,10,18-triene
CID 74063823
undec-2-en-6-one;hydrochloride
CID 175086863
(E)-nonadec-12-en-9-one
CID 15584258
undec-9-eneperoxoic acid
CID 118610001

Frequently Asked Questions

What is the IUPAC name of (2Z,19Z)-henicosa-2,19-dien-11-one?
The IUPAC name of (2Z,19Z)-henicosa-2,19-dien-11-one (CID 170029762) is (2Z,19Z)-henicosa-2,19-dien-11-one.
What is the SMILES notation for (2Z,19Z)-henicosa-2,19-dien-11-one?
The canonical SMILES for (2Z,19Z)-henicosa-2,19-dien-11-one is C/C=C\CCCCCCCC(=O)CCCCCCC/C=C\C.
What is the InChIKey of (2Z,19Z)-henicosa-2,19-dien-11-one?
The InChIKey is QNUWTDJXKXRIRM-GLIMQPGKSA-N. The full InChI is InChI=1S/C21H38O/c1-3-5-7-9-11-13-15-17-19-21(22)20-18-16-14-12-10-8-6-4-2/h3-6H,7-20H2,1-2H3/b5-3-,6-4-.
What are the key properties of (2Z,19Z)-henicosa-2,19-dien-11-one?
(2Z,19Z)-henicosa-2,19-dien-11-one has a molecular weight of 306.53 g/mol, XLogP of 7.17, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,19Z)-henicosa-2,19-dien-11-one is sourced from PubChem (CID 170029762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).