CID 173483395

C7H13B — CID 173483395

IUPAC—
SMILES[B]C1(C)CCC1CC
InChIInChI=1S/C7H13B/c1-3-6-4-5-7(6,2)8/h6H,3-5H2,1-2H3
InChIKeyRONRMYMIIZGHOE-UHFFFAOYSA-N
MW107.99 g/mol
LogP2.15
Rot. Bonds1

About CID 173483395

CID 173483395 (PubChem CID 173483395) has the molecular formula C7H13B and a molecular weight of 107.99 g/mol.

Molecular Properties

Compound NameCID 173483395
PubChem CID173483395
Molecular FormulaC7H13B
Molecular Weight107.99 g/mol
Exact Mass108.11
IUPAC Name—
SMILES[B]C1(C)CCC1CC
InChIInChI=1S/C7H13B/c1-3-6-4-5-7(6,2)8/h6H,3-5H2,1-2H3
InChIKeyRONRMYMIIZGHOE-UHFFFAOYSA-N
XLogP2.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.99
LogP ≤ 52.15
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

azane;2-ethyl-1,1-dimethylcyclobutane
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7-ethyl-2-oxaspiro[3.3]heptane
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1,3-diethyl-1,2,2-trimethylcyclopentane
CID 123762745
2,5-diethyl-1,1-difluorocyclopentane
CID 20771103
2,4-diethyl-1,1-dimethylcyclohexane
CID 143295937
1,1-dibutyl-2-ethylcyclobutane
CID 123938978
(4S,9S)-4,9-diethyl-1,6-dioxaspiro[4.4]nonane
CID 15722713
2,4-diethyl-1,1-dimethylcyclobutane;methane
CID 156895183
(4R)-4-ethyl-3,3-dimethyloxolane
CID 166089274
2-ethyl-1-methylbicyclo[3.1.1]heptane
CID 147397707
ethene;2-ethyl-1,1,5-trimethylcyclopentane
CID 142858344
3-ethyl-2,2-dimethylbicyclo[4.2.0]octane
CID 123145636

Frequently Asked Questions

What is the IUPAC name of CID 173483395?
The IUPAC name of CID 173483395 (CID 173483395) is not available.
What is the SMILES notation for CID 173483395?
The canonical SMILES for CID 173483395 is [B]C1(C)CCC1CC.
What is the InChIKey of CID 173483395?
The InChIKey is RONRMYMIIZGHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13B/c1-3-6-4-5-7(6,2)8/h6H,3-5H2,1-2H3.
What are the key properties of CID 173483395?
CID 173483395 has a molecular weight of 107.99 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173483395 is sourced from PubChem (CID 173483395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).