CID 101351627

C24H30O5 — CID 101351627

IUPAC—
SMILESCC(=O)Oc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C24H30O5/c1-15(25)26-22-4-2-18(3-5-22)19-6-8-23(9-7-19)27-24(29-28-23)20-11-16-10-17(13-20)14-21(24)12-16/h2-5,16-17,19-21H,6-14H2,1H3
InChIKeyXIFWSFNVVIAZQR-UHFFFAOYSA-N
MW398.50 g/mol
LogP5.10
Rot. Bonds2

About CID 101351627

CID 101351627 (PubChem CID 101351627) has the molecular formula C24H30O5 and a molecular weight of 398.50 g/mol.

Molecular Properties

Compound NameCID 101351627
PubChem CID101351627
Molecular FormulaC24H30O5
Molecular Weight398.50 g/mol
Exact Mass398.21
IUPAC Name—
SMILESCC(=O)Oc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C24H30O5/c1-15(25)26-22-4-2-18(3-5-22)19-6-8-23(9-7-19)27-24(29-28-23)20-11-16-10-17(13-20)14-21(24)12-16/h2-5,16-17,19-21H,6-14H2,1H3
InChIKeyXIFWSFNVVIAZQR-UHFFFAOYSA-N
XLogP5.10
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.50
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 101351627?
The IUPAC name of CID 101351627 (CID 101351627) is not available.
What is the SMILES notation for CID 101351627?
The canonical SMILES for CID 101351627 is CC(=O)Oc1ccc(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of CID 101351627?
The InChIKey is XIFWSFNVVIAZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O5/c1-15(25)26-22-4-2-18(3-5-22)19-6-8-23(9-7-19)27-24(29-28-23)20-11-16-10-17(13-20)14-21(24)12-16/h2-5,16-17,19-21H,6-14H2,1H3.
What are the key properties of CID 101351627?
CID 101351627 has a molecular weight of 398.50 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101351627 is sourced from PubChem (CID 101351627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).