CID 141005628

C12H27O3Pb — CID 141005628

IUPAC—
SMILESCCCCO[Pb](OCCCC)OCCCC
InChIInChI=1S/3C4H9O.Pb/c3*1-2-3-4-5;/h3*2-4H2,1H3;/q3*-1;+3
InChIKeyCLSNSTRNWITYDJ-UHFFFAOYSA-N
MW426.55 g/mol
LogP3.42
Rot. Bonds12

About CID 141005628

CID 141005628 (PubChem CID 141005628) has the molecular formula C12H27O3Pb and a molecular weight of 426.55 g/mol.

Molecular Properties

Compound NameCID 141005628
PubChem CID141005628
Molecular FormulaC12H27O3Pb
Molecular Weight426.55 g/mol
Exact Mass427.17
IUPAC Name—
SMILESCCCCO[Pb](OCCCC)OCCCC
InChIInChI=1S/3C4H9O.Pb/c3*1-2-3-4-5;/h3*2-4H2,1H3;/q3*-1;+3
InChIKeyCLSNSTRNWITYDJ-UHFFFAOYSA-N
XLogP3.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butylperoxybutane
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1-butylperoxybutane;hydrate
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1-butylperoxybutane;hydrogen peroxide
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1-[2-(2-butoxyethylperoxy)ethoxy]butane
CID 19809275
1-butylperoxybutane;cyclooctane
CID 140991302
pentane;stannane
CID 173279416
tribromo(butoxy)stannane
CID 22477101
Monobutyl stannane oxide
CID 87106028
aluminum;1-butoxybutane;hydride
CID 174684135
1-butoxybutane;methoxymethane
CID 18401298
butoxythallium
CID 139687622
1-octylperoxynonane
CID 151564626

Frequently Asked Questions

What is the IUPAC name of CID 141005628?
The IUPAC name of CID 141005628 (CID 141005628) is not available.
What is the SMILES notation for CID 141005628?
The canonical SMILES for CID 141005628 is CCCCO[Pb](OCCCC)OCCCC.
What is the InChIKey of CID 141005628?
The InChIKey is CLSNSTRNWITYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9O.Pb/c3*1-2-3-4-5;/h3*2-4H2,1H3;/q3*-1;+3.
What are the key properties of CID 141005628?
CID 141005628 has a molecular weight of 426.55 g/mol, XLogP of 3.42, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 141005628 is sourced from PubChem (CID 141005628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).