CID 5237962

C23H34O4 — CID 5237962

IUPAC—
SMILESCC12CCC3(CC1=CCC1C2CCC2(C)C1CCC21OCCO1)OCCO3
InChIInChI=1S/C23H34O4/c1-20-9-10-22(24-11-12-25-22)15-16(20)3-4-17-18(20)5-7-21(2)19(17)6-8-23(21)26-13-14-27-23/h3,17-19H,4-15H2,1-2H3
InChIKeyXQKKPTGNGACJSF-UHFFFAOYSA-N
MW374.52 g/mol
LogP4.44
Rot. Bonds

About CID 5237962

CID 5237962 (PubChem CID 5237962) has the molecular formula C23H34O4 and a molecular weight of 374.52 g/mol.

Molecular Properties

Compound NameCID 5237962
PubChem CID5237962
Molecular FormulaC23H34O4
Molecular Weight374.52 g/mol
Exact Mass374.25
IUPAC Name—
SMILESCC12CCC3(CC1=CCC1C2CCC2(C)C1CCC21OCCO1)OCCO3
InChIInChI=1S/C23H34O4/c1-20-9-10-22(24-11-12-25-22)15-16(20)3-4-17-18(20)5-7-21(2)19(17)6-8-23(21)26-13-14-27-23/h3,17-19H,4-15H2,1-2H3
InChIKeyXQKKPTGNGACJSF-UHFFFAOYSA-N
XLogP4.44
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.52
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 5237962?
The IUPAC name of CID 5237962 (CID 5237962) is not available.
What is the SMILES notation for CID 5237962?
The canonical SMILES for CID 5237962 is CC12CCC3(CC1=CCC1C2CCC2(C)C1CCC21OCCO1)OCCO3.
What is the InChIKey of CID 5237962?
The InChIKey is XQKKPTGNGACJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O4/c1-20-9-10-22(24-11-12-25-22)15-16(20)3-4-17-18(20)5-7-21(2)19(17)6-8-23(21)26-13-14-27-23/h3,17-19H,4-15H2,1-2H3.
What are the key properties of CID 5237962?
CID 5237962 has a molecular weight of 374.52 g/mol, XLogP of 4.44, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 5237962 is sourced from PubChem (CID 5237962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).