CID 159956237

C7H13B — CID 159956237

IUPAC—
SMILESC1=CCCCC1.[B]C
InChIInChI=1S/C6H10.CH3B/c1-2-4-6-5-3-1;1-2/h1-2H,3-6H2;1H3
InChIKeyQDDUYIVTKQTPHE-UHFFFAOYSA-N
MW107.99 g/mol
LogP2.32
Rot. Bonds

About CID 159956237

CID 159956237 (PubChem CID 159956237) has the molecular formula C7H13B and a molecular weight of 107.99 g/mol.

Molecular Properties

Compound NameCID 159956237
PubChem CID159956237
Molecular FormulaC7H13B
Molecular Weight107.99 g/mol
Exact Mass108.11
IUPAC Name—
SMILESC1=CCCCC1.[B]C
InChIInChI=1S/C6H10.CH3B/c1-2-4-6-5-3-1;1-2/h1-2H,3-6H2;1H3
InChIKeyQDDUYIVTKQTPHE-UHFFFAOYSA-N
XLogP2.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.99
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1E,7E)-cyclododeca-1,7-diene
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cyclopentadecene
CID 5463009
(1E)-cyclooctadeca-1,8-diene
CID 173129359
(1E,8E)-cyclotetradeca-1,8-diene
CID 638080
(5Z)-cyclodeca-1,5-diene
CID 97293620
(1Z,9E,17E)-cyclotetracosa-1,9,17-triene
CID 153422638
cyclopentadeca-1,7-diene
CID 154173092
(1Z,9E)-cyclooctadeca-1,9-diene
CID 143896650
(7Z)-cyclohexadeca-1,7-diene
CID 173129118
cyclobutane;cyclobutene;cycloheptane;cycloheptene;cyclohexane;cyclohexene;cyclooctane;cyclooctene;cyclopentane;cyclopentene;ethane
CID 159907930
(5E)-cyclotetradeca-1,5-diene
CID 173030551
(1E,5E)-cyclooctadeca-1,5-diene
CID 143896645

Frequently Asked Questions

What is the IUPAC name of CID 159956237?
The IUPAC name of CID 159956237 (CID 159956237) is not available.
What is the SMILES notation for CID 159956237?
The canonical SMILES for CID 159956237 is C1=CCCCC1.[B]C.
What is the InChIKey of CID 159956237?
The InChIKey is QDDUYIVTKQTPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.CH3B/c1-2-4-6-5-3-1;1-2/h1-2H,3-6H2;1H3.
What are the key properties of CID 159956237?
CID 159956237 has a molecular weight of 107.99 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159956237 is sourced from PubChem (CID 159956237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).