4-methyldeca-1,2-dien-4-yl hydrogen carbonate;plutonium

C12H20O3Pu — CID 175325344

IUPAC4-methyldeca-1,2-dien-4-yl hydrogen carbonate;plutonium
SMILESC=C=CC(C)(CCCCCC)OC(=O)O.[Pu]
InChIInChI=1S/C12H20O3.Pu/c1-4-6-7-8-10-12(3,9-5-2)15-11(13)14;/h9H,2,4,6-8,10H2,1,3H3,(H,13,14);
InChIKeyCLCQFCAINAKILE-UHFFFAOYSA-N
MW456.29 g/mol
LogP3.75
Rot. Bonds7

About 4-methyldeca-1,2-dien-4-yl hydrogen carbonate;plutonium

4-methyldeca-1,2-dien-4-yl hydrogen carbonate;plutonium (PubChem CID 175325344) has the molecular formula C12H20O3Pu and a molecular weight of 456.29 g/mol. Its IUPAC name is 4-methyldeca-1,2-dien-4-yl hydrogen carbonate;plutonium.

Molecular Properties

Compound Name4-methyldeca-1,2-dien-4-yl hydrogen carbonate;plutonium
PubChem CID175325344
Molecular FormulaC12H20O3Pu
Molecular Weight456.29 g/mol
Exact Mass450.19
IUPAC Name4-methyldeca-1,2-dien-4-yl hydrogen carbonate;plutonium
SMILESC=C=CC(C)(CCCCCC)OC(=O)O.[Pu]
InChIInChI=1S/C12H20O3.Pu/c1-4-6-7-8-10-12(3,9-5-2)15-11(13)14;/h9H,2,4,6-8,10H2,1,3H3,(H,13,14);
InChIKeyCLCQFCAINAKILE-UHFFFAOYSA-N
XLogP3.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.29
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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4-amino-4-methylpentadec-1-en-3-one
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tetrakis(prop-2-enoic acid);bis(tridecane-1,1,1-triol)
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(3-ethyl-4,4-dimethyldecan-3-yl) prop-2-enoate
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sodium 2-methanidylhexadecan-2-yl prop-2-enoate
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2-hydroxy-2-methylheptadecanoic acid
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(2R)-2-hydroxy-2-methyloctadecanoic acid
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3,3-dimethylnonanoic acid
CID 5282685
heptadecane;prop-2-enoic acid
CID 158681422

Frequently Asked Questions

What is the IUPAC name of 4-methyldeca-1,2-dien-4-yl hydrogen carbonate;plutonium?
The IUPAC name of 4-methyldeca-1,2-dien-4-yl hydrogen carbonate;plutonium (CID 175325344) is 4-methyldeca-1,2-dien-4-yl hydrogen carbonate;plutonium.
What is the SMILES notation for 4-methyldeca-1,2-dien-4-yl hydrogen carbonate;plutonium?
The canonical SMILES for 4-methyldeca-1,2-dien-4-yl hydrogen carbonate;plutonium is C=C=CC(C)(CCCCCC)OC(=O)O.[Pu].
What is the InChIKey of 4-methyldeca-1,2-dien-4-yl hydrogen carbonate;plutonium?
The InChIKey is CLCQFCAINAKILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3.Pu/c1-4-6-7-8-10-12(3,9-5-2)15-11(13)14;/h9H,2,4,6-8,10H2,1,3H3,(H,13,14);.
What are the key properties of 4-methyldeca-1,2-dien-4-yl hydrogen carbonate;plutonium?
4-methyldeca-1,2-dien-4-yl hydrogen carbonate;plutonium has a molecular weight of 456.29 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyldeca-1,2-dien-4-yl hydrogen carbonate;plutonium is sourced from PubChem (CID 175325344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).