CID 101297352

C44H52O8Pb-4 — CID 101297352

IUPAC—
SMILESCCCCc1ccc(C(=O)[O-])cc1.CCCCc1ccc(C(=O)[O-])cc1.CCCCc1ccc(C(=O)[O-])cc1.CCCCc1ccc(C(=O)[O-])cc1.[Pb]
InChIInChI=1S/4C11H14O2.Pb/c4*1-2-3-4-9-5-7-10(8-6-9)11(12)13;/h4*5-8H,2-4H2,1H3,(H,12,13);/p-4
InChIKeyYEOOQSUIALZQAB-UHFFFAOYSA-J
MW916.09 g/mol
LogP5.19
Rot. Bonds16

About CID 101297352

CID 101297352 (PubChem CID 101297352) has the molecular formula C44H52O8Pb-4 and a molecular weight of 916.09 g/mol.

Molecular Properties

Compound NameCID 101297352
PubChem CID101297352
Molecular FormulaC44H52O8Pb-4
Molecular Weight916.09 g/mol
Exact Mass916.35
IUPAC Name—
SMILESCCCCc1ccc(C(=O)[O-])cc1.CCCCc1ccc(C(=O)[O-])cc1.CCCCc1ccc(C(=O)[O-])cc1.CCCCc1ccc(C(=O)[O-])cc1.[Pb]
InChIInChI=1S/4C11H14O2.Pb/c4*1-2-3-4-9-5-7-10(8-6-9)11(12)13;/h4*5-8H,2-4H2,1H3,(H,12,13);/p-4
InChIKeyYEOOQSUIALZQAB-UHFFFAOYSA-J
XLogP5.19
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500916.09
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of CID 101297352?
The IUPAC name of CID 101297352 (CID 101297352) is not available.
What is the SMILES notation for CID 101297352?
The canonical SMILES for CID 101297352 is CCCCc1ccc(C(=O)[O-])cc1.CCCCc1ccc(C(=O)[O-])cc1.CCCCc1ccc(C(=O)[O-])cc1.CCCCc1ccc(C(=O)[O-])cc1.[Pb].
What is the InChIKey of CID 101297352?
The InChIKey is YEOOQSUIALZQAB-UHFFFAOYSA-J. The full InChI is InChI=1S/4C11H14O2.Pb/c4*1-2-3-4-9-5-7-10(8-6-9)11(12)13;/h4*5-8H,2-4H2,1H3,(H,12,13);/p-4.
What are the key properties of CID 101297352?
CID 101297352 has a molecular weight of 916.09 g/mol, XLogP of 5.19, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101297352 is sourced from PubChem (CID 101297352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).