CID 20818434

C24H38O5 — CID 20818434

IUPAC—
SMILESCCCCC1(CC)COC(=O)C12CC1OC1CC21C(=O)OCC1(CC)CCCC
InChIInChI=1S/C24H38O5/c1-5-9-11-21(7-3)15-27-19(25)23(21)13-17-18(29-17)14-24(23)20(26)28-16-22(24,8-4)12-10-6-2/h17-18H,5-16H2,1-4H3
InChIKeyLHDKUDDVFNSIAM-UHFFFAOYSA-N
MW406.56 g/mol
LogP4.81
Rot. Bonds8

About CID 20818434

CID 20818434 (PubChem CID 20818434) has the molecular formula C24H38O5 and a molecular weight of 406.56 g/mol.

Molecular Properties

Compound NameCID 20818434
PubChem CID20818434
Molecular FormulaC24H38O5
Molecular Weight406.56 g/mol
Exact Mass406.27
IUPAC Name—
SMILESCCCCC1(CC)COC(=O)C12CC1OC1CC21C(=O)OCC1(CC)CCCC
InChIInChI=1S/C24H38O5/c1-5-9-11-21(7-3)15-27-19(25)23(21)13-17-18(29-17)14-24(23)20(26)28-16-22(24,8-4)12-10-6-2/h17-18H,5-16H2,1-4H3
InChIKeyLHDKUDDVFNSIAM-UHFFFAOYSA-N
XLogP4.81
TPSA65.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.56
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 20818434?
The IUPAC name of CID 20818434 (CID 20818434) is not available.
What is the SMILES notation for CID 20818434?
The canonical SMILES for CID 20818434 is CCCCC1(CC)COC(=O)C12CC1OC1CC21C(=O)OCC1(CC)CCCC.
What is the InChIKey of CID 20818434?
The InChIKey is LHDKUDDVFNSIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O5/c1-5-9-11-21(7-3)15-27-19(25)23(21)13-17-18(29-17)14-24(23)20(26)28-16-22(24,8-4)12-10-6-2/h17-18H,5-16H2,1-4H3.
What are the key properties of CID 20818434?
CID 20818434 has a molecular weight of 406.56 g/mol, XLogP of 4.81, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20818434 is sourced from PubChem (CID 20818434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).