CID 10202027

C28H32O3 — CID 10202027

IUPAC—
SMILESc1ccc(C2(c3ccccc3)CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C28H32O3/c1-3-7-22(8-4-1)26(23-9-5-2-6-10-23)11-13-27(14-12-26)29-28(31-30-27)24-16-20-15-21(18-24)19-25(28)17-20/h1-10,20-21,24-25H,11-19H2
InChIKeyMNWPYUGTLLDVMT-UHFFFAOYSA-N
MW416.56 g/mol
LogP6.37
Rot. Bonds2

About CID 10202027

CID 10202027 (PubChem CID 10202027) has the molecular formula C28H32O3 and a molecular weight of 416.56 g/mol.

Molecular Properties

Compound NameCID 10202027
PubChem CID10202027
Molecular FormulaC28H32O3
Molecular Weight416.56 g/mol
Exact Mass416.24
IUPAC Name—
SMILESc1ccc(C2(c3ccccc3)CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C28H32O3/c1-3-7-22(8-4-1)26(23-9-5-2-6-10-23)11-13-27(14-12-26)29-28(31-30-27)24-16-20-15-21(18-24)19-25(28)17-20/h1-10,20-21,24-25H,11-19H2
InChIKeyMNWPYUGTLLDVMT-UHFFFAOYSA-N
XLogP6.37
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.56
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 10202027?
The IUPAC name of CID 10202027 (CID 10202027) is not available.
What is the SMILES notation for CID 10202027?
The canonical SMILES for CID 10202027 is c1ccc(C2(c3ccccc3)CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of CID 10202027?
The InChIKey is MNWPYUGTLLDVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32O3/c1-3-7-22(8-4-1)26(23-9-5-2-6-10-23)11-13-27(14-12-26)29-28(31-30-27)24-16-20-15-21(18-24)19-25(28)17-20/h1-10,20-21,24-25H,11-19H2.
What are the key properties of CID 10202027?
CID 10202027 has a molecular weight of 416.56 g/mol, XLogP of 6.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10202027 is sourced from PubChem (CID 10202027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).