CID 77450108

C24H35FO4 — CID 77450108

IUPAC—
SMILESC=C1CC2C(CCC3(C)C2C(F)CC32OCCO2)C2(C)CCC3(CC12)OCCO3
InChIInChI=1S/C24H35FO4/c1-15-12-16-17(21(2)6-7-23(13-18(15)21)26-8-9-27-23)4-5-22(3)20(16)19(25)14-24(22)28-10-11-29-24/h16-20H,1,4-14H2,2-3H3
InChIKeyPUXPEKWVXCWSTE-UHFFFAOYSA-N
MW406.54 g/mol
LogP4.63
Rot. Bonds

About CID 77450108

CID 77450108 (PubChem CID 77450108) has the molecular formula C24H35FO4 and a molecular weight of 406.54 g/mol.

Molecular Properties

Compound NameCID 77450108
PubChem CID77450108
Molecular FormulaC24H35FO4
Molecular Weight406.54 g/mol
Exact Mass406.25
IUPAC Name—
SMILESC=C1CC2C(CCC3(C)C2C(F)CC32OCCO2)C2(C)CCC3(CC12)OCCO3
InChIInChI=1S/C24H35FO4/c1-15-12-16-17(21(2)6-7-23(13-18(15)21)26-8-9-27-23)4-5-22(3)20(16)19(25)14-24(22)28-10-11-29-24/h16-20H,1,4-14H2,2-3H3
InChIKeyPUXPEKWVXCWSTE-UHFFFAOYSA-N
XLogP4.63
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.54
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 77450108?
The IUPAC name of CID 77450108 (CID 77450108) is not available.
What is the SMILES notation for CID 77450108?
The canonical SMILES for CID 77450108 is C=C1CC2C(CCC3(C)C2C(F)CC32OCCO2)C2(C)CCC3(CC12)OCCO3.
What is the InChIKey of CID 77450108?
The InChIKey is PUXPEKWVXCWSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35FO4/c1-15-12-16-17(21(2)6-7-23(13-18(15)21)26-8-9-27-23)4-5-22(3)20(16)19(25)14-24(22)28-10-11-29-24/h16-20H,1,4-14H2,2-3H3.
What are the key properties of CID 77450108?
CID 77450108 has a molecular weight of 406.54 g/mol, XLogP of 4.63, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 77450108 is sourced from PubChem (CID 77450108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).