CID 90841414

C24H36O4 — CID 90841414

IUPAC—
SMILESCC1=CC2CC3(CCC2(C)C2CCC4(C)C(CCC45OCCO5)C12)OCCO3
InChIInChI=1S/C24H36O4/c1-16-14-17-15-23(25-10-11-26-23)9-8-21(17,2)18-4-6-22(3)19(20(16)18)5-7-24(22)27-12-13-28-24/h14,17-20H,4-13,15H2,1-3H3
InChIKeyFBPPKZFMWGZIMX-UHFFFAOYSA-N
MW388.55 g/mol
LogP4.68
Rot. Bonds

About CID 90841414

CID 90841414 (PubChem CID 90841414) has the molecular formula C24H36O4 and a molecular weight of 388.55 g/mol.

Molecular Properties

Compound NameCID 90841414
PubChem CID90841414
Molecular FormulaC24H36O4
Molecular Weight388.55 g/mol
Exact Mass388.26
IUPAC Name—
SMILESCC1=CC2CC3(CCC2(C)C2CCC4(C)C(CCC45OCCO5)C12)OCCO3
InChIInChI=1S/C24H36O4/c1-16-14-17-15-23(25-10-11-26-23)9-8-21(17,2)18-4-6-22(3)19(20(16)18)5-7-24(22)27-12-13-28-24/h14,17-20H,4-13,15H2,1-3H3
InChIKeyFBPPKZFMWGZIMX-UHFFFAOYSA-N
XLogP4.68
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.55
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 90841414?
The IUPAC name of CID 90841414 (CID 90841414) is not available.
What is the SMILES notation for CID 90841414?
The canonical SMILES for CID 90841414 is CC1=CC2CC3(CCC2(C)C2CCC4(C)C(CCC45OCCO5)C12)OCCO3.
What is the InChIKey of CID 90841414?
The InChIKey is FBPPKZFMWGZIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O4/c1-16-14-17-15-23(25-10-11-26-23)9-8-21(17,2)18-4-6-22(3)19(20(16)18)5-7-24(22)27-12-13-28-24/h14,17-20H,4-13,15H2,1-3H3.
What are the key properties of CID 90841414?
CID 90841414 has a molecular weight of 388.55 g/mol, XLogP of 4.68, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90841414 is sourced from PubChem (CID 90841414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).