CID 123401099

C10H20B — CID 123401099

IUPAC—
SMILESCC(C)(C)[B]C1CCCCC1
InChIInChI=1S/C10H20B/c1-10(2,3)11-9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
InChIKeyUYXBTQISIUTUES-UHFFFAOYSA-N
MW151.08 g/mol
LogP3.66
Rot. Bonds1

About CID 123401099

CID 123401099 (PubChem CID 123401099) has the molecular formula C10H20B and a molecular weight of 151.08 g/mol.

Molecular Properties

Compound NameCID 123401099
PubChem CID123401099
Molecular FormulaC10H20B
Molecular Weight151.08 g/mol
Exact Mass151.17
IUPAC Name—
SMILESCC(C)(C)[B]C1CCCCC1
InChIInChI=1S/C10H20B/c1-10(2,3)11-9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
InChIKeyUYXBTQISIUTUES-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.08
LogP ≤ 53.66
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

tert-butylcyclopentadecane
CID 164774831
CID 173298990
CID 173298990
N-(2-fluoropropan-2-yl)cyclohexanamine
CID 145320025
N-tert-butylcyclobutanamine;N-tert-butylcyclohexanamine;N-tert-butylcyclopentanamine;N-tert-butylcyclopropanamine
CID 158164936
(4-cyclohexyl-2,3,3,4-tetramethylpentan-2-yl)cyclohexane
CID 20659537
1-cyclooctylethane-1,1-diol
CID 22410754
CID 173025587
CID 173025587
2-cyclononadecylpropan-2-ol
CID 126587376
2,3-dicyclohexylbutane-2,3-diol
CID 50741678
2,2-dimethylpropane;propan-2-ylcyclohexane
CID 159663996
methylcyclohexane;2-methylpropan-2-ol
CID 174648681
tert-butylcyclobutane;tert-butylcyclohexane;ethane
CID 167597631

Frequently Asked Questions

What is the IUPAC name of CID 123401099?
The IUPAC name of CID 123401099 (CID 123401099) is not available.
What is the SMILES notation for CID 123401099?
The canonical SMILES for CID 123401099 is CC(C)(C)[B]C1CCCCC1.
What is the InChIKey of CID 123401099?
The InChIKey is UYXBTQISIUTUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20B/c1-10(2,3)11-9-7-5-4-6-8-9/h9H,4-8H2,1-3H3.
What are the key properties of CID 123401099?
CID 123401099 has a molecular weight of 151.08 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123401099 is sourced from PubChem (CID 123401099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).