CID 164983427

C11H30B — CID 164983427

IUPAC—
SMILESCC.CC.CC.CCC(C)C.[B]
InChIInChI=1S/C5H12.3C2H6.B/c1-4-5(2)3;3*1-2;/h5H,4H2,1-3H3;3*1-2H3;
InChIKeyVRKFIZVEBKJNOE-UHFFFAOYSA-N
MW173.17 g/mol
LogP4.75
Rot. Bonds1

About CID 164983427

CID 164983427 (PubChem CID 164983427) has the molecular formula C11H30B and a molecular weight of 173.17 g/mol.

Molecular Properties

Compound NameCID 164983427
PubChem CID164983427
Molecular FormulaC11H30B
Molecular Weight173.17 g/mol
Exact Mass173.24
IUPAC Name—
SMILESCC.CC.CC.CCC(C)C.[B]
InChIInChI=1S/C5H12.3C2H6.B/c1-4-5(2)3;3*1-2;/h5H,4H2,1-3H3;3*1-2H3;
InChIKeyVRKFIZVEBKJNOE-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 54.75
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

2-methylbutane
CID 158117812
2-methylbutane
CID 159175971
ethane;methane;2-methylbutane;propane
CID 162144061
2-methylbutane;yttrium
CID 157105537
2-methylbutane;nickel
CID 159021520
CID 169430456
CID 169430456
ethane;ethene;2-methylbutane;propane
CID 142006499
1,1-difluoropropane;ethane;2-methylbutane
CID 176705110
bis(but-2-yne);ethane;2-methylbutane
CID 144516003
butane;ethane;methanol;2-methylbutane
CID 170758487
iodosilver;2-methylbutane
CID 174297027
hydroxylamine;2-methylbutane
CID 175063986

Frequently Asked Questions

What is the IUPAC name of CID 164983427?
The IUPAC name of CID 164983427 (CID 164983427) is not available.
What is the SMILES notation for CID 164983427?
The canonical SMILES for CID 164983427 is CC.CC.CC.CCC(C)C.[B].
What is the InChIKey of CID 164983427?
The InChIKey is VRKFIZVEBKJNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.3C2H6.B/c1-4-5(2)3;3*1-2;/h5H,4H2,1-3H3;3*1-2H3;.
What are the key properties of CID 164983427?
CID 164983427 has a molecular weight of 173.17 g/mol, XLogP of 4.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164983427 is sourced from PubChem (CID 164983427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).