CID 161153214

C14H26O2Y-2 — CID 161153214

IUPAC—
SMILESCC1CCCCC1O.[CH-]1CCC2OC2C1.[CH3-].[Y]
InChIInChI=1S/C7H14O.C6H9O.CH3.Y/c1-6-4-2-3-5-7(6)8;1-2-4-6-5(3-1)7-6;;/h6-8H,2-5H2,1H3;1,5-6H,2-4H2;1H3;/q;2*-1;
InChIKeyMGBBQCLQMNZSHT-UHFFFAOYSA-N
MW315.27 g/mol
LogP3.15
Rot. Bonds

About CID 161153214

CID 161153214 (PubChem CID 161153214) has the molecular formula C14H26O2Y-2 and a molecular weight of 315.27 g/mol.

Molecular Properties

Compound NameCID 161153214
PubChem CID161153214
Molecular FormulaC14H26O2Y-2
Molecular Weight315.27 g/mol
Exact Mass315.10
IUPAC Name—
SMILESCC1CCCCC1O.[CH-]1CCC2OC2C1.[CH3-].[Y]
InChIInChI=1S/C7H14O.C6H9O.CH3.Y/c1-6-4-2-3-5-7(6)8;1-2-4-6-5(3-1)7-6;;/h6-8H,2-5H2,1H3;1,5-6H,2-4H2;1H3;/q;2*-1;
InChIKeyMGBBQCLQMNZSHT-UHFFFAOYSA-N
XLogP3.15
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.27
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 161153214?
The IUPAC name of CID 161153214 (CID 161153214) is not available.
What is the SMILES notation for CID 161153214?
The canonical SMILES for CID 161153214 is CC1CCCCC1O.[CH-]1CCC2OC2C1.[CH3-].[Y].
What is the InChIKey of CID 161153214?
The InChIKey is MGBBQCLQMNZSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.C6H9O.CH3.Y/c1-6-4-2-3-5-7(6)8;1-2-4-6-5(3-1)7-6;;/h6-8H,2-5H2,1H3;1,5-6H,2-4H2;1H3;/q;2*-1;.
What are the key properties of CID 161153214?
CID 161153214 has a molecular weight of 315.27 g/mol, XLogP of 3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161153214 is sourced from PubChem (CID 161153214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).