CID 158872076

C35H59Y- — CID 158872076

IUPAC—
SMILESCC.CC.CC.CC.[Y].c1ccc2c(c1)C1CCC3CC4CCCCC4[C-]4C5CCCCC5C2C1C43
InChIInChI=1S/C27H35.4C2H6.Y/c1-2-8-18-16(7-1)15-17-13-14-23-19-9-3-4-10-20(19)26-22-12-6-5-11-21(22)25(18)24(17)27(23)26;4*1-2;/h3-4,9-10,16-18,21-24,26-27H,1-2,5-8,11-15H2;4*1-2H3;/q-1;;;;;
InChIKeyADBLLTXWCRXNRM-UHFFFAOYSA-N
MW568.76 g/mol
LogP11.22
Rot. Bonds

About CID 158872076

CID 158872076 (PubChem CID 158872076) has the molecular formula C35H59Y- and a molecular weight of 568.76 g/mol.

Molecular Properties

Compound NameCID 158872076
PubChem CID158872076
Molecular FormulaC35H59Y-
Molecular Weight568.76 g/mol
Exact Mass568.37
IUPAC Name—
SMILESCC.CC.CC.CC.[Y].c1ccc2c(c1)C1CCC3CC4CCCCC4[C-]4C5CCCCC5C2C1C43
InChIInChI=1S/C27H35.4C2H6.Y/c1-2-8-18-16(7-1)15-17-13-14-23-19-9-3-4-10-20(19)26-22-12-6-5-11-21(22)25(18)24(17)27(23)26;4*1-2;/h3-4,9-10,16-18,21-24,26-27H,1-2,5-8,11-15H2;4*1-2H3;/q-1;;;;;
InChIKeyADBLLTXWCRXNRM-UHFFFAOYSA-N
XLogP11.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.76
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 59989769
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CID 58591794
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Frequently Asked Questions

What is the IUPAC name of CID 158872076?
The IUPAC name of CID 158872076 (CID 158872076) is not available.
What is the SMILES notation for CID 158872076?
The canonical SMILES for CID 158872076 is CC.CC.CC.CC.[Y].c1ccc2c(c1)C1CCC3CC4CCCCC4[C-]4C5CCCCC5C2C1C43.
What is the InChIKey of CID 158872076?
The InChIKey is ADBLLTXWCRXNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35.4C2H6.Y/c1-2-8-18-16(7-1)15-17-13-14-23-19-9-3-4-10-20(19)26-22-12-6-5-11-21(22)25(18)24(17)27(23)26;4*1-2;/h3-4,9-10,16-18,21-24,26-27H,1-2,5-8,11-15H2;4*1-2H3;/q-1;;;;;.
What are the key properties of CID 158872076?
CID 158872076 has a molecular weight of 568.76 g/mol, XLogP of 11.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158872076 is sourced from PubChem (CID 158872076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).