CID 162472049

C6H11BO2P+ — CID 162472049

IUPAC—
SMILES[B][P+](C#C)(OCC)OCC
InChIInChI=1S/C6H11BO2P/c1-4-8-10(7,6-3)9-5-2/h3H,4-5H2,1-2H3/q+1
InChIKeyTYNOUBXAHHXIEV-UHFFFAOYSA-N
MW156.94 g/mol
LogP1.58
Rot. Bonds4

About CID 162472049

CID 162472049 (PubChem CID 162472049) has the molecular formula C6H11BO2P+ and a molecular weight of 156.94 g/mol.

Molecular Properties

Compound NameCID 162472049
PubChem CID162472049
Molecular FormulaC6H11BO2P+
Molecular Weight156.94 g/mol
Exact Mass157.06
IUPAC Name—
SMILES[B][P+](C#C)(OCC)OCC
InChIInChI=1S/C6H11BO2P/c1-4-8-10(7,6-3)9-5-2/h3H,4-5H2,1-2H3/q+1
InChIKeyTYNOUBXAHHXIEV-UHFFFAOYSA-N
XLogP1.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.94
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 162472049 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 135084279
CID 135084279
1,1-diethoxy-N-propylbut-3-yn-2-amine
CID 79495899
3,3-dipropoxyprop-1-yne
CID 22737752
3-ethoxyoct-1-yne
CID 20555693
diethoxymethyl(ethynyl)silane
CID 152520440
2-(1-ethoxyprop-2-ynoxy)ethanol
CID 175543174
3-iodo-3-propoxyprop-1-yne
CID 139632124
4-(chloromethoxy)-3-methylpent-1-yne
CID 55301342
1,1-diethoxypent-4-yn-2-amine
CID 79496062
(3R)-3-methoxy-3-prop-2-enoxyprop-1-yne
CID 134840075
1-(2-ethoxybut-3-ynyl)cyclopropene
CID 91055756
1-(diethoxymethyl)-1-ethynylurea
CID 175486448

Frequently Asked Questions

What is the IUPAC name of CID 162472049?
The IUPAC name of CID 162472049 (CID 162472049) is not available.
What is the SMILES notation for CID 162472049?
The canonical SMILES for CID 162472049 is [B][P+](C#C)(OCC)OCC.
What is the InChIKey of CID 162472049?
The InChIKey is TYNOUBXAHHXIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BO2P/c1-4-8-10(7,6-3)9-5-2/h3H,4-5H2,1-2H3/q+1.
What are the key properties of CID 162472049?
CID 162472049 has a molecular weight of 156.94 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162472049 is sourced from PubChem (CID 162472049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).