CID 145409696

C8H14B2 — CID 145409696

IUPAC—
SMILES[B]C[C@H]1CCCC[C@@H]1C[B]
InChIInChI=1S/C8H14B2/c9-5-7-3-1-2-4-8(7)6-10/h7-8H,1-6H2/t7-,8-/m1/s1
InChIKeyOPQOQVGNUPJFIP-HTQZYQBOSA-N
MW131.82 g/mol
LogP1.97
Rot. Bonds2

About CID 145409696

CID 145409696 (PubChem CID 145409696) has the molecular formula C8H14B2 and a molecular weight of 131.82 g/mol.

Molecular Properties

Compound NameCID 145409696
PubChem CID145409696
Molecular FormulaC8H14B2
Molecular Weight131.82 g/mol
Exact Mass132.13
IUPAC Name—
SMILES[B]C[C@H]1CCCC[C@@H]1C[B]
InChIInChI=1S/C8H14B2/c9-5-7-3-1-2-4-8(7)6-10/h7-8H,1-6H2/t7-,8-/m1/s1
InChIKeyOPQOQVGNUPJFIP-HTQZYQBOSA-N
XLogP1.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.82
LogP ≤ 51.97
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

trans-(1R,2R)-1,2-bis(chloromethyl)cyclohexane
CID 54577627
1,2-bis(2-methylpropyl)cycloheptane
CID 175310859
CID 160611346
CID 160611346
cis-(1S,2R)-1,2-dipropylcyclohexane
CID 143217114
1-[(1R,2R)-2-[(dimethylamino)methyl]cyclohexyl]-N,N-dimethylmethanamine
CID 22812116
1-chloro-2-(3-methylbutyl)cycloheptane
CID 63459310
7,8-diethyl-1,1-dimethylcyclotridecane
CID 123809995
2-[(1R,2S)-2-chlorocyclohexyl]ethanamine
CID 97304641
2-(2-chlorocyclohexyl)ethanamine
CID 53423115
trimethyl-[[2-(trimethylsilylmethyl)cyclopentyl]methyl]silane
CID 164936675
cis-(1R,2S)-2-(2-methylpropyl)cyclohexane-1-sulfonate;cis-(1S,2R)-2-(2-methylpropyl)cyclohexane-1-sulfonate
CID 161163930
2-[(2-aminocyclohexyl)methyl]cyclohexan-1-amine;2-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine
CID 118512121

Frequently Asked Questions

What is the IUPAC name of CID 145409696?
The IUPAC name of CID 145409696 (CID 145409696) is not available.
What is the SMILES notation for CID 145409696?
The canonical SMILES for CID 145409696 is [B]C[C@H]1CCCC[C@@H]1C[B].
What is the InChIKey of CID 145409696?
The InChIKey is OPQOQVGNUPJFIP-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H14B2/c9-5-7-3-1-2-4-8(7)6-10/h7-8H,1-6H2/t7-,8-/m1/s1.
What are the key properties of CID 145409696?
CID 145409696 has a molecular weight of 131.82 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145409696 is sourced from PubChem (CID 145409696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).