CID 174068229

C10H20B2 — CID 174068229

IUPAC—
SMILES[B]C([B])C(C)(C)C(C)(C)C(C)C
InChIInChI=1S/C10H20B2/c1-7(2)9(3,4)10(5,6)8(11)12/h7-8H,1-6H3
InChIKeySFIFJBDLZYSFFU-UHFFFAOYSA-N
MW161.89 g/mol
LogP2.78
Rot. Bonds3

About CID 174068229

CID 174068229 (PubChem CID 174068229) has the molecular formula C10H20B2 and a molecular weight of 161.89 g/mol.

Molecular Properties

Compound NameCID 174068229
PubChem CID174068229
Molecular FormulaC10H20B2
Molecular Weight161.89 g/mol
Exact Mass162.18
IUPAC Name—
SMILES[B]C([B])C(C)(C)C(C)(C)C(C)C
InChIInChI=1S/C10H20B2/c1-7(2)9(3,4)10(5,6)8(11)12/h7-8H,1-6H3
InChIKeySFIFJBDLZYSFFU-UHFFFAOYSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.89
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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2,3-dimethyl(213C)butan-2-ol
CID 100985919
2,2-dibromo-3-methylbutane
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2,3-dimethylbutan-2-ylazanium
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Frequently Asked Questions

What is the IUPAC name of CID 174068229?
The IUPAC name of CID 174068229 (CID 174068229) is not available.
What is the SMILES notation for CID 174068229?
The canonical SMILES for CID 174068229 is [B]C([B])C(C)(C)C(C)(C)C(C)C.
What is the InChIKey of CID 174068229?
The InChIKey is SFIFJBDLZYSFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20B2/c1-7(2)9(3,4)10(5,6)8(11)12/h7-8H,1-6H3.
What are the key properties of CID 174068229?
CID 174068229 has a molecular weight of 161.89 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174068229 is sourced from PubChem (CID 174068229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).