CID 123161961

C12H23B — CID 123161961

IUPAC—
SMILES[B]C1(C)CCCCC(C)CCCC1
InChIInChI=1S/C12H23B/c1-11-7-3-5-9-12(2,13)10-6-4-8-11/h11H,3-10H2,1-2H3
InChIKeyPGGKOJGNALIDMT-UHFFFAOYSA-N
MW178.13 g/mol
LogP4.10
Rot. Bonds

About CID 123161961

CID 123161961 (PubChem CID 123161961) has the molecular formula C12H23B and a molecular weight of 178.13 g/mol.

Molecular Properties

Compound NameCID 123161961
PubChem CID123161961
Molecular FormulaC12H23B
Molecular Weight178.13 g/mol
Exact Mass178.19
IUPAC Name—
SMILES[B]C1(C)CCCCC(C)CCCC1
InChIInChI=1S/C12H23B/c1-11-7-3-5-9-12(2,13)10-6-4-8-11/h11H,3-10H2,1-2H3
InChIKeyPGGKOJGNALIDMT-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.13
LogP ≤ 54.10
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

1,1,5-trimethylcycloundecane
CID 161434950
1,1,5,8-tetramethylcyclotetradecane
CID 143796202
1,6-dimethylcyclodecan-1-amine
CID 163518000
1,1,4-trimethylcyclononane
CID 71397842
methylcyclopentane
CID 7296
trans-(1R,5S)-1,5-dimethylcyclononan-1-amine
CID 130457734
1,6-dimethylcycloundecane
CID 91298161
methylcyclobutane;tetrakis(methylcyclopentane)
CID 160836928
erbium;tris(methylcyclopentane)
CID 91996115
CID 158187464
CID 158187464
cyclohexane;methylcyclopentane
CID 20788572
methane;methylcyclohexane
CID 143705611

Frequently Asked Questions

What is the IUPAC name of CID 123161961?
The IUPAC name of CID 123161961 (CID 123161961) is not available.
What is the SMILES notation for CID 123161961?
The canonical SMILES for CID 123161961 is [B]C1(C)CCCCC(C)CCCC1.
What is the InChIKey of CID 123161961?
The InChIKey is PGGKOJGNALIDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23B/c1-11-7-3-5-9-12(2,13)10-6-4-8-11/h11H,3-10H2,1-2H3.
What are the key properties of CID 123161961?
CID 123161961 has a molecular weight of 178.13 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123161961 is sourced from PubChem (CID 123161961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).