CID 91508162

C19H27O2- — CID 91508162

IUPAC—
SMILES[CH2-]c1ccc(OC2CCCCC2)cc1OC1CCCCC1
InChIInChI=1S/C19H27O2/c1-15-12-13-18(20-16-8-4-2-5-9-16)14-19(15)21-17-10-6-3-7-11-17/h12-14,16-17H,1-11H2/q-1
InChIKeyQMLPDVQVMZOYKP-UHFFFAOYSA-N
MW287.42 g/mol
LogP5.29
Rot. Bonds4

About CID 91508162

CID 91508162 (PubChem CID 91508162) has the molecular formula C19H27O2- and a molecular weight of 287.42 g/mol.

Molecular Properties

Compound NameCID 91508162
PubChem CID91508162
Molecular FormulaC19H27O2-
Molecular Weight287.42 g/mol
Exact Mass287.20
IUPAC Name—
SMILES[CH2-]c1ccc(OC2CCCCC2)cc1OC1CCCCC1
InChIInChI=1S/C19H27O2/c1-15-12-13-18(20-16-8-4-2-5-9-16)14-19(15)21-17-10-6-3-7-11-17/h12-14,16-17H,1-11H2/q-1
InChIKeyQMLPDVQVMZOYKP-UHFFFAOYSA-N
XLogP5.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.42
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 91508162?
The IUPAC name of CID 91508162 (CID 91508162) is not available.
What is the SMILES notation for CID 91508162?
The canonical SMILES for CID 91508162 is [CH2-]c1ccc(OC2CCCCC2)cc1OC1CCCCC1.
What is the InChIKey of CID 91508162?
The InChIKey is QMLPDVQVMZOYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27O2/c1-15-12-13-18(20-16-8-4-2-5-9-16)14-19(15)21-17-10-6-3-7-11-17/h12-14,16-17H,1-11H2/q-1.
What are the key properties of CID 91508162?
CID 91508162 has a molecular weight of 287.42 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91508162 is sourced from PubChem (CID 91508162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).