CID 123789898

C8H15B — CID 123789898

IUPAC—
SMILES[B]C1CC1(C)CCCC
InChIInChI=1S/C8H15B/c1-3-4-5-8(2)6-7(8)9/h7H,3-6H2,1-2H3
InChIKeyOGQIONLUNNYEDR-UHFFFAOYSA-N
MW122.02 g/mol
LogP2.54
Rot. Bonds3

About CID 123789898

CID 123789898 (PubChem CID 123789898) has the molecular formula C8H15B and a molecular weight of 122.02 g/mol.

Molecular Properties

Compound NameCID 123789898
PubChem CID123789898
Molecular FormulaC8H15B
Molecular Weight122.02 g/mol
Exact Mass122.13
IUPAC Name—
SMILES[B]C1CC1(C)CCCC
InChIInChI=1S/C8H15B/c1-3-4-5-8(2)6-7(8)9/h7H,3-6H2,1-2H3
InChIKeyOGQIONLUNNYEDR-UHFFFAOYSA-N
XLogP2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.02
LogP ≤ 52.54
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-butyl-1-methyl-2-propan-2-ylcyclopropane
CID 91325328
cis-(1R,2S)-2-methyl-2-nonylcyclopropan-1-ol
CID 102123339
(1R)-1-[(1R,2R)-2-butyl-2-methylcyclopropyl]-2-methylpropan-1-ol
CID 102319002
1-butyl-2-methyl-1-propylcyclopropane
CID 123815284
3-butyl-3-methylcyclobutan-1-ol
CID 123195778
3-butyl-1-ethyl-3-methyl-2-propylazetidine
CID 129254480
2-butan-2-yl-1-methyl-1-pentylcyclopropane
CID 123764144
1-butyl-2-propylcyclopropan-1-amine
CID 79411808
1-butyl-1-methyl-3-propan-2-ylcyclobutane
CID 162724820
1-butyl-1-methyl-2-prop-1-enylcyclobutane
CID 123374075
CID 174071986
CID 174071986
2-butyl-3-chloro-2-methyloxirane
CID 141187882

Frequently Asked Questions

What is the IUPAC name of CID 123789898?
The IUPAC name of CID 123789898 (CID 123789898) is not available.
What is the SMILES notation for CID 123789898?
The canonical SMILES for CID 123789898 is [B]C1CC1(C)CCCC.
What is the InChIKey of CID 123789898?
The InChIKey is OGQIONLUNNYEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15B/c1-3-4-5-8(2)6-7(8)9/h7H,3-6H2,1-2H3.
What are the key properties of CID 123789898?
CID 123789898 has a molecular weight of 122.02 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123789898 is sourced from PubChem (CID 123789898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).