CID 13370499

C23H32O5 — CID 13370499

IUPAC—
SMILESCC12CCC3C(CC=C4CC5(CCC43C=O)OCCO5)C1CCC21OCCO1
InChIInChI=1S/C23H32O5/c1-20-6-4-19-17(18(20)5-7-23(20)27-12-13-28-23)3-2-16-14-22(25-10-11-26-22)9-8-21(16,19)15-24/h2,15,17-19H,3-14H2,1H3
InChIKeyGYZRJVXZFNGLFQ-UHFFFAOYSA-N
MW388.50 g/mol
LogP3.61
Rot. Bonds1

About CID 13370499

CID 13370499 (PubChem CID 13370499) has the molecular formula C23H32O5 and a molecular weight of 388.50 g/mol.

Molecular Properties

Compound NameCID 13370499
PubChem CID13370499
Molecular FormulaC23H32O5
Molecular Weight388.50 g/mol
Exact Mass388.22
IUPAC Name—
SMILESCC12CCC3C(CC=C4CC5(CCC43C=O)OCCO5)C1CCC21OCCO1
InChIInChI=1S/C23H32O5/c1-20-6-4-19-17(18(20)5-7-23(20)27-12-13-28-23)3-2-16-14-22(25-10-11-26-22)9-8-21(16,19)15-24/h2,15,17-19H,3-14H2,1H3
InChIKeyGYZRJVXZFNGLFQ-UHFFFAOYSA-N
XLogP3.61
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
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': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 13370499?
The IUPAC name of CID 13370499 (CID 13370499) is not available.
What is the SMILES notation for CID 13370499?
The canonical SMILES for CID 13370499 is CC12CCC3C(CC=C4CC5(CCC43C=O)OCCO5)C1CCC21OCCO1.
What is the InChIKey of CID 13370499?
The InChIKey is GYZRJVXZFNGLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O5/c1-20-6-4-19-17(18(20)5-7-23(20)27-12-13-28-23)3-2-16-14-22(25-10-11-26-22)9-8-21(16,19)15-24/h2,15,17-19H,3-14H2,1H3.
What are the key properties of CID 13370499?
CID 13370499 has a molecular weight of 388.50 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 13370499 is sourced from PubChem (CID 13370499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).