disodium;hydride;(Z)-nonadec-10-en-2-one

C19H38Na2O — CID 175011557

IUPACdisodium;hydride;(Z)-nonadec-10-en-2-one
SMILESCCCCCCCC/C=C\CCCCCCCC(C)=O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C19H36O.2Na.2H/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20;;;;/h10-11H,3-9,12-18H2,1-2H3;;;;/q;2*+1;2*-1/b11-10-;;;;
InChIKeyQRYLYOGPMNYICD-LJRJUWJMSA-N
MW328.49 g/mol
LogP0.85
Rot. Bonds15

About disodium;hydride;(Z)-nonadec-10-en-2-one

disodium;hydride;(Z)-nonadec-10-en-2-one (PubChem CID 175011557) has the molecular formula C19H38Na2O and a molecular weight of 328.49 g/mol. Its IUPAC name is disodium;hydride;(Z)-nonadec-10-en-2-one.

Molecular Properties

Compound Namedisodium;hydride;(Z)-nonadec-10-en-2-one
PubChem CID175011557
Molecular FormulaC19H38Na2O
Molecular Weight328.49 g/mol
Exact Mass328.27
IUPAC Namedisodium;hydride;(Z)-nonadec-10-en-2-one
SMILESCCCCCCCC/C=C\CCCCCCCC(C)=O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C19H36O.2Na.2H/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20;;;;/h10-11H,3-9,12-18H2,1-2H3;;;;/q;2*+1;2*-1/b11-10-;;;;
InChIKeyQRYLYOGPMNYICD-LJRJUWJMSA-N
XLogP0.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 50.85
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

henicos-9-en-2-one
CID 91100997
(E)-dotriacont-23-en-2-one
CID 5365248
(Z)-heptadec-7-en-2-one
CID 90307080
(Z)-pentacos-16-en-2-one
CID 90307095
(E)-icos-10-en-2-one
CID 137410632
(Z)-tricos-16-en-2-one
CID 134866400
tetratriacont-20-en-2-one
CID 56637991
heptatriaconta-6,28-dien-2-one
CID 549930
pentadec-10-en-2-one
CID 71443705
(10E,13E)-nonadeca-10,13-dien-2-one
CID 10333807
dodec-7-en-2-one
CID 123882998
nonadeca-9,11-dien-2-one
CID 76564066

Frequently Asked Questions

What is the IUPAC name of disodium;hydride;(Z)-nonadec-10-en-2-one?
The IUPAC name of disodium;hydride;(Z)-nonadec-10-en-2-one (CID 175011557) is disodium;hydride;(Z)-nonadec-10-en-2-one.
What is the SMILES notation for disodium;hydride;(Z)-nonadec-10-en-2-one?
The canonical SMILES for disodium;hydride;(Z)-nonadec-10-en-2-one is CCCCCCCC/C=C\CCCCCCCC(C)=O.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;hydride;(Z)-nonadec-10-en-2-one?
The InChIKey is QRYLYOGPMNYICD-LJRJUWJMSA-N. The full InChI is InChI=1S/C19H36O.2Na.2H/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20;;;;/h10-11H,3-9,12-18H2,1-2H3;;;;/q;2*+1;2*-1/b11-10-;;;;.
What are the key properties of disodium;hydride;(Z)-nonadec-10-en-2-one?
disodium;hydride;(Z)-nonadec-10-en-2-one has a molecular weight of 328.49 g/mol, XLogP of 0.85, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydride;(Z)-nonadec-10-en-2-one is sourced from PubChem (CID 175011557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).