CID 6335534

C36H76O4Sn2 — CID 6335534

IUPAC—
SMILESCCCCCCCCC(CC(=O)O)C(=O)O.CCCC[Sn](CCCC)CCCC.CCCC[Sn](CCCC)CCCC
InChIInChI=1S/C12H22O4.6C4H9.2Sn/c1-2-3-4-5-6-7-8-10(12(15)16)9-11(13)14;6*1-3-4-2;;/h10H,2-9H2,1H3,(H,13,14)(H,15,16);6*1,3-4H2,2H3;;
InChIKeyUQINSDHMWLOWCM-UHFFFAOYSA-N
MW810.42 g/mol
LogP12.68
Rot. Bonds28

About CID 6335534

CID 6335534 (PubChem CID 6335534) has the molecular formula C36H76O4Sn2 and a molecular weight of 810.42 g/mol.

Molecular Properties

Compound NameCID 6335534
PubChem CID6335534
Molecular FormulaC36H76O4Sn2
Molecular Weight810.42 g/mol
Exact Mass812.38
IUPAC Name—
SMILESCCCCCCCCC(CC(=O)O)C(=O)O.CCCC[Sn](CCCC)CCCC.CCCC[Sn](CCCC)CCCC
InChIInChI=1S/C12H22O4.6C4H9.2Sn/c1-2-3-4-5-6-7-8-10(12(15)16)9-11(13)14;6*1-3-4-2;;/h10H,2-9H2,1H3,(H,13,14)(H,15,16);6*1,3-4H2,2H3;;
InChIKeyUQINSDHMWLOWCM-UHFFFAOYSA-N
XLogP12.68
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.42
LogP ≤ 512.68
H-Bond Donors ≤ 52
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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2-dodecylbutanedioic acid;propan-2-ol
CID 88833990
2-(7-methylpentadecyl)butanedioic acid
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2-(9-ethyltetradecyl)butanedioic acid
CID 174907381
2-dodec-6-enylbutanedioic acid
CID 174779156
2-[(E)-dodec-5-enyl]butanedioic acid
CID 101277904
nonane-1,2,8,9-tetracarboxylic acid
CID 139878415
(2S)-2-heptyldecanoic acid
CID 171991627
2-dodecyloctacosanoic acid
CID 90897371
2-pentyldodecanoic acid
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Frequently Asked Questions

What is the IUPAC name of CID 6335534?
The IUPAC name of CID 6335534 (CID 6335534) is not available.
What is the SMILES notation for CID 6335534?
The canonical SMILES for CID 6335534 is CCCCCCCCC(CC(=O)O)C(=O)O.CCCC[Sn](CCCC)CCCC.CCCC[Sn](CCCC)CCCC.
What is the InChIKey of CID 6335534?
The InChIKey is UQINSDHMWLOWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4.6C4H9.2Sn/c1-2-3-4-5-6-7-8-10(12(15)16)9-11(13)14;6*1-3-4-2;;/h10H,2-9H2,1H3,(H,13,14)(H,15,16);6*1,3-4H2,2H3;;.
What are the key properties of CID 6335534?
CID 6335534 has a molecular weight of 810.42 g/mol, XLogP of 12.68, 28 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6335534 is sourced from PubChem (CID 6335534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).