CID 174150583

C12H20B2 — CID 174150583

IUPAC—
SMILES[B]C([B])C1C(CC)CC2CCCC1C2
InChIInChI=1S/C12H20B2/c1-2-9-6-8-4-3-5-10(7-8)11(9)12(13)14/h8-12H,2-7H2,1H3
InChIKeyKELIOAPYCHCRJH-UHFFFAOYSA-N
MW185.92 g/mol
LogP2.92
Rot. Bonds2

About CID 174150583

CID 174150583 (PubChem CID 174150583) has the molecular formula C12H20B2 and a molecular weight of 185.92 g/mol.

Molecular Properties

Compound NameCID 174150583
PubChem CID174150583
Molecular FormulaC12H20B2
Molecular Weight185.92 g/mol
Exact Mass186.18
IUPAC Name—
SMILES[B]C([B])C1C(CC)CC2CCCC1C2
InChIInChI=1S/C12H20B2/c1-2-9-6-8-4-3-5-10(7-8)11(9)12(13)14/h8-12H,2-7H2,1H3
InChIKeyKELIOAPYCHCRJH-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.92
LogP ≤ 52.92
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

3-ethyl-2-methylbicyclo[3.3.1]nonane
CID 148913731
(1R,5R)-2-ethylbicyclo[3.3.1]nonane
CID 143508540
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
2-ethylbicyclo[2.2.1]heptane;methane
CID 169189353
(1S,5R,6R)-bicyclo[3.2.1]octan-6-amine
CID 14638743
[(1S,5R,6R)-6-bicyclo[3.2.1]octanyl]methanol
CID 131199969
(2-amino-3-bicyclo[3.3.1]nonanyl)methanol
CID 89331972
6-(2-cyclohexylethyl)bicyclo[3.2.1]octane
CID 171097692
bicyclo[3.1.1]heptane;bicyclo[4.1.0]heptane;ethane;propane
CID 90909345
(5R)-3-ethylbicyclo[3.3.1]nonane
CID 59897306
2-(3-ethylbicyclo[3.3.1]nonane-2-carbonyl)oxy-1,1-difluoroethanesulfonic acid
CID 166978115
1-cyclobutyl-2-ethylcyclobutane
CID 123211451

Frequently Asked Questions

What is the IUPAC name of CID 174150583?
The IUPAC name of CID 174150583 (CID 174150583) is not available.
What is the SMILES notation for CID 174150583?
The canonical SMILES for CID 174150583 is [B]C([B])C1C(CC)CC2CCCC1C2.
What is the InChIKey of CID 174150583?
The InChIKey is KELIOAPYCHCRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20B2/c1-2-9-6-8-4-3-5-10(7-8)11(9)12(13)14/h8-12H,2-7H2,1H3.
What are the key properties of CID 174150583?
CID 174150583 has a molecular weight of 185.92 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174150583 is sourced from PubChem (CID 174150583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).