CID 2825497

C23H32O5 — CID 2825497

IUPAC—
SMILESCC12CCC3(C=C1CCC1C2C(=O)CC2(C)C1CCC21OCCO1)OCCO3
InChIInChI=1S/C23H32O5/c1-20-7-8-22(25-9-10-26-22)13-15(20)3-4-16-17-5-6-23(27-11-12-28-23)21(17,2)14-18(24)19(16)20/h13,16-17,19H,3-12,14H2,1-2H3
InChIKeyQPCQTXLITUSAHG-UHFFFAOYSA-N
MW388.50 g/mol
LogP3.61
Rot. Bonds

About CID 2825497

CID 2825497 (PubChem CID 2825497) has the molecular formula C23H32O5 and a molecular weight of 388.50 g/mol.

Molecular Properties

Compound NameCID 2825497
PubChem CID2825497
Molecular FormulaC23H32O5
Molecular Weight388.50 g/mol
Exact Mass388.22
IUPAC Name—
SMILESCC12CCC3(C=C1CCC1C2C(=O)CC2(C)C1CCC21OCCO1)OCCO3
InChIInChI=1S/C23H32O5/c1-20-7-8-22(25-9-10-26-22)13-15(20)3-4-16-17-5-6-23(27-11-12-28-23)21(17,2)14-18(24)19(16)20/h13,16-17,19H,3-12,14H2,1-2H3
InChIKeyQPCQTXLITUSAHG-UHFFFAOYSA-N
XLogP3.61
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2825497?
The IUPAC name of CID 2825497 (CID 2825497) is not available.
What is the SMILES notation for CID 2825497?
The canonical SMILES for CID 2825497 is CC12CCC3(C=C1CCC1C2C(=O)CC2(C)C1CCC21OCCO1)OCCO3.
What is the InChIKey of CID 2825497?
The InChIKey is QPCQTXLITUSAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O5/c1-20-7-8-22(25-9-10-26-22)13-15(20)3-4-16-17-5-6-23(27-11-12-28-23)21(17,2)14-18(24)19(16)20/h13,16-17,19H,3-12,14H2,1-2H3.
What are the key properties of CID 2825497?
CID 2825497 has a molecular weight of 388.50 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 2825497 is sourced from PubChem (CID 2825497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).