CID 159185044

C15H24B2O — CID 159185044

IUPAC—
SMILESC.C.Cc1ccccc1.OC1=CCCC=C1.[B].[B]
InChIInChI=1S/C7H8.C6H8O.2CH4.2B/c1-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6;;;;/h2-6H,1H3;2,4-5,7H,1,3H2;2*1H4;;
InChIKeyVOWCYACUHQBYMF-UHFFFAOYSA-N
MW241.98 g/mol
LogP4.28
Rot. Bonds

About CID 159185044

CID 159185044 (PubChem CID 159185044) has the molecular formula C15H24B2O and a molecular weight of 241.98 g/mol.

Molecular Properties

Compound NameCID 159185044
PubChem CID159185044
Molecular FormulaC15H24B2O
Molecular Weight241.98 g/mol
Exact Mass242.20
IUPAC Name—
SMILESC.C.Cc1ccccc1.OC1=CCCC=C1.[B].[B]
InChIInChI=1S/C7H8.C6H8O.2CH4.2B/c1-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6;;;;/h2-6H,1H3;2,4-5,7H,1,3H2;2*1H4;;
InChIKeyVOWCYACUHQBYMF-UHFFFAOYSA-N
XLogP4.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.98
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 159185044?
The IUPAC name of CID 159185044 (CID 159185044) is not available.
What is the SMILES notation for CID 159185044?
The canonical SMILES for CID 159185044 is C.C.Cc1ccccc1.OC1=CCCC=C1.[B].[B].
What is the InChIKey of CID 159185044?
The InChIKey is VOWCYACUHQBYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C6H8O.2CH4.2B/c1-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6;;;;/h2-6H,1H3;2,4-5,7H,1,3H2;2*1H4;;.
What are the key properties of CID 159185044?
CID 159185044 has a molecular weight of 241.98 g/mol, XLogP of 4.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159185044 is sourced from PubChem (CID 159185044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).