CID 10815533

C26H30NO2 — CID 10815533

IUPAC—
SMILESCCCCCC#C[C@@H](c1ccco1)N(C[C]1[CH][CH][CH][CH]1)[C@@H](CO)c1ccccc1
InChIInChI=1S/C26H30NO2/c1-2-3-4-5-9-17-24(26-18-12-19-29-26)27(20-22-13-10-11-14-22)25(21-28)23-15-7-6-8-16-23/h6-8,10-16,18-19,24-25,28H,2-5,20-21H2,1H3/t24-,25-/m0/s1
InChIKeyHDEJCOSXJOSSJU-DQEYMECFSA-N
MW388.53 g/mol
LogP5.35
Rot. Bonds10

About CID 10815533

CID 10815533 (PubChem CID 10815533) has the molecular formula C26H30NO2 and a molecular weight of 388.53 g/mol.

Molecular Properties

Compound NameCID 10815533
PubChem CID10815533
Molecular FormulaC26H30NO2
Molecular Weight388.53 g/mol
Exact Mass388.23
IUPAC Name—
SMILESCCCCCC#C[C@@H](c1ccco1)N(C[C]1[CH][CH][CH][CH]1)[C@@H](CO)c1ccccc1
InChIInChI=1S/C26H30NO2/c1-2-3-4-5-9-17-24(26-18-12-19-29-26)27(20-22-13-10-11-14-22)25(21-28)23-15-7-6-8-16-23/h6-8,10-16,18-19,24-25,28H,2-5,20-21H2,1H3/t24-,25-/m0/s1
InChIKeyHDEJCOSXJOSSJU-DQEYMECFSA-N
XLogP5.35
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.53
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 10815533?
The IUPAC name of CID 10815533 (CID 10815533) is not available.
What is the SMILES notation for CID 10815533?
The canonical SMILES for CID 10815533 is CCCCCC#C[C@@H](c1ccco1)N(C[C]1[CH][CH][CH][CH]1)[C@@H](CO)c1ccccc1.
What is the InChIKey of CID 10815533?
The InChIKey is HDEJCOSXJOSSJU-DQEYMECFSA-N. The full InChI is InChI=1S/C26H30NO2/c1-2-3-4-5-9-17-24(26-18-12-19-29-26)27(20-22-13-10-11-14-22)25(21-28)23-15-7-6-8-16-23/h6-8,10-16,18-19,24-25,28H,2-5,20-21H2,1H3/t24-,25-/m0/s1.
What are the key properties of CID 10815533?
CID 10815533 has a molecular weight of 388.53 g/mol, XLogP of 5.35, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10815533 is sourced from PubChem (CID 10815533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).