CID 58982365

C23H42NO4 — CID 58982365

IUPAC—
SMILESCCC1(C)CC2(OCC(C)(COC3CCCCC3)CO2)C(C)C(C)(CC)N1[O]
InChIInChI=1S/C23H42NO4/c1-7-21(5)14-23(18(3)22(6,8-2)24(21)25)27-16-20(4,17-28-23)15-26-19-12-10-9-11-13-19/h18-19H,7-17H2,1-6H3
InChIKeyFYVVFIHXHMBQQK-UHFFFAOYSA-N
MW396.59 g/mol
LogP5.11
Rot. Bonds5

About CID 58982365

CID 58982365 (PubChem CID 58982365) has the molecular formula C23H42NO4 and a molecular weight of 396.59 g/mol.

Molecular Properties

Compound NameCID 58982365
PubChem CID58982365
Molecular FormulaC23H42NO4
Molecular Weight396.59 g/mol
Exact Mass396.31
IUPAC Name—
SMILESCCC1(C)CC2(OCC(C)(COC3CCCCC3)CO2)C(C)C(C)(CC)N1[O]
InChIInChI=1S/C23H42NO4/c1-7-21(5)14-23(18(3)22(6,8-2)24(21)25)27-16-20(4,17-28-23)15-26-19-12-10-9-11-13-19/h18-19H,7-17H2,1-6H3
InChIKeyFYVVFIHXHMBQQK-UHFFFAOYSA-N
XLogP5.11
TPSA50.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.59
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 58982365?
The IUPAC name of CID 58982365 (CID 58982365) is not available.
What is the SMILES notation for CID 58982365?
The canonical SMILES for CID 58982365 is CCC1(C)CC2(OCC(C)(COC3CCCCC3)CO2)C(C)C(C)(CC)N1[O].
What is the InChIKey of CID 58982365?
The InChIKey is FYVVFIHXHMBQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42NO4/c1-7-21(5)14-23(18(3)22(6,8-2)24(21)25)27-16-20(4,17-28-23)15-26-19-12-10-9-11-13-19/h18-19H,7-17H2,1-6H3.
What are the key properties of CID 58982365?
CID 58982365 has a molecular weight of 396.59 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58982365 is sourced from PubChem (CID 58982365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).