CID 174037725

C11H22B — CID 174037725

IUPAC—
SMILESCC(C)=C([B]C(C)C)C(C)(C)C
InChIInChI=1S/C11H22B/c1-8(2)10(11(5,6)7)12-9(3)4/h9H,1-7H3
InChIKeyXKRYVWIEXBVPKM-UHFFFAOYSA-N
MW165.11 g/mol
LogP3.86
Rot. Bonds2

About CID 174037725

CID 174037725 (PubChem CID 174037725) has the molecular formula C11H22B and a molecular weight of 165.11 g/mol.

Molecular Properties

Compound NameCID 174037725
PubChem CID174037725
Molecular FormulaC11H22B
Molecular Weight165.11 g/mol
Exact Mass165.18
IUPAC Name—
SMILESCC(C)=C([B]C(C)C)C(C)(C)C
InChIInChI=1S/C11H22B/c1-8(2)10(11(5,6)7)12-9(3)4/h9H,1-7H3
InChIKeyXKRYVWIEXBVPKM-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.11
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 174037725?
The IUPAC name of CID 174037725 (CID 174037725) is not available.
What is the SMILES notation for CID 174037725?
The canonical SMILES for CID 174037725 is CC(C)=C([B]C(C)C)C(C)(C)C.
What is the InChIKey of CID 174037725?
The InChIKey is XKRYVWIEXBVPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22B/c1-8(2)10(11(5,6)7)12-9(3)4/h9H,1-7H3.
What are the key properties of CID 174037725?
CID 174037725 has a molecular weight of 165.11 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174037725 is sourced from PubChem (CID 174037725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).