CID 10792570

C30H38O4Se — CID 10792570

IUPAC—
SMILESC[C@]12CC=C3[C@@H](CC=C4CC5(CC[C@@]43CC[Se]c3ccccc3)OCCO5)[C@@H]1CCC21OCCO1
InChIInChI=1S/C30H38O4Se/c1-27-11-9-26-24(25(27)10-12-30(27)33-18-19-34-30)8-7-22-21-29(31-16-17-32-29)14-13-28(22,26)15-20-35-23-5-3-2-4-6-23/h2-7,9,24-25H,8,10-21H2,1H3/t24-,25-,27-,28+/m0/s1
InChIKeyPGKAAVYINVOFBM-DNZWLJDLSA-N
MW541.59 g/mol
LogP5.17
Rot. Bonds4

About CID 10792570

CID 10792570 (PubChem CID 10792570) has the molecular formula C30H38O4Se and a molecular weight of 541.59 g/mol.

Molecular Properties

Compound NameCID 10792570
PubChem CID10792570
Molecular FormulaC30H38O4Se
Molecular Weight541.59 g/mol
Exact Mass542.19
IUPAC Name—
SMILESC[C@]12CC=C3[C@@H](CC=C4CC5(CC[C@@]43CC[Se]c3ccccc3)OCCO5)[C@@H]1CCC21OCCO1
InChIInChI=1S/C30H38O4Se/c1-27-11-9-26-24(25(27)10-12-30(27)33-18-19-34-30)8-7-22-21-29(31-16-17-32-29)14-13-28(22,26)15-20-35-23-5-3-2-4-6-23/h2-7,9,24-25H,8,10-21H2,1H3/t24-,25-,27-,28+/m0/s1
InChIKeyPGKAAVYINVOFBM-DNZWLJDLSA-N
XLogP5.17
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.59
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 10792570?
The IUPAC name of CID 10792570 (CID 10792570) is not available.
What is the SMILES notation for CID 10792570?
The canonical SMILES for CID 10792570 is C[C@]12CC=C3[C@@H](CC=C4CC5(CC[C@@]43CC[Se]c3ccccc3)OCCO5)[C@@H]1CCC21OCCO1.
What is the InChIKey of CID 10792570?
The InChIKey is PGKAAVYINVOFBM-DNZWLJDLSA-N. The full InChI is InChI=1S/C30H38O4Se/c1-27-11-9-26-24(25(27)10-12-30(27)33-18-19-34-30)8-7-22-21-29(31-16-17-32-29)14-13-28(22,26)15-20-35-23-5-3-2-4-6-23/h2-7,9,24-25H,8,10-21H2,1H3/t24-,25-,27-,28+/m0/s1.
What are the key properties of CID 10792570?
CID 10792570 has a molecular weight of 541.59 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10792570 is sourced from PubChem (CID 10792570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).