CID 159914814

C10H22B — CID 159914814

IUPAC—
SMILESC.C1=CCC=C1.CC.CC.[B]
InChIInChI=1S/C5H6.2C2H6.CH4.B/c1-2-4-5-3-1;2*1-2;;/h1-4H,5H2;2*1-2H3;1H4;
InChIKeyKJJGTFLBZXKVJL-UHFFFAOYSA-N
MW153.10 g/mol
LogP3.81
Rot. Bonds

About CID 159914814

CID 159914814 (PubChem CID 159914814) has the molecular formula C10H22B and a molecular weight of 153.10 g/mol.

Molecular Properties

Compound NameCID 159914814
PubChem CID159914814
Molecular FormulaC10H22B
Molecular Weight153.10 g/mol
Exact Mass153.18
IUPAC Name—
SMILESC.C1=CCC=C1.CC.CC.[B]
InChIInChI=1S/C5H6.2C2H6.CH4.B/c1-2-4-5-3-1;2*1-2;;/h1-4H,5H2;2*1-2H3;1H4;
InChIKeyKJJGTFLBZXKVJL-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.10
LogP ≤ 53.81
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

CID 169431670
CID 169431670
cyclopenta-1,3-diene
CID 159248657
nonakis(cyclopenta-1,3-diene);ethane;methane;2-methylpropane;propane
CID 157111538
cyclopenta-1,3-diene;osmium
CID 161133624
potassium cyclopenta-1,3-diene
CID 22494929
sodium cyclopenta-1,3-diene
CID 19606718
bis(cyclopenta-1,3-diene);hydrobromide
CID 173376640
cyclopenta-1,3-diene;scandium
CID 158619793
chromium;cyclopenta-1,3-diene
CID 158699246
(1E,3Z,5E)-cyclododeca-1,3,5,8,10-pentaene
CID 173030962
(1Z,3E,5Z,8E)-cyclododeca-1,3,5,8,10-pentaene
CID 173118485
(6E,9E,12Z)-cyclotetradeca-1,3,6,9,12-pentaene
CID 173030463

Frequently Asked Questions

What is the IUPAC name of CID 159914814?
The IUPAC name of CID 159914814 (CID 159914814) is not available.
What is the SMILES notation for CID 159914814?
The canonical SMILES for CID 159914814 is C.C1=CCC=C1.CC.CC.[B].
What is the InChIKey of CID 159914814?
The InChIKey is KJJGTFLBZXKVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6.2C2H6.CH4.B/c1-2-4-5-3-1;2*1-2;;/h1-4H,5H2;2*1-2H3;1H4;.
What are the key properties of CID 159914814?
CID 159914814 has a molecular weight of 153.10 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159914814 is sourced from PubChem (CID 159914814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).