CID 158187464

C6H12B — CID 158187464

IUPAC—
SMILESCC1CCCC1.[B]
InChIInChI=1S/C6H12.B/c1-6-4-2-3-5-6;/h6H,2-5H2,1H3;
InChIKeyHBFFWTSGWKCCMQ-UHFFFAOYSA-N
MW94.97 g/mol
LogP1.82
Rot. Bonds

About CID 158187464

CID 158187464 (PubChem CID 158187464) has the molecular formula C6H12B and a molecular weight of 94.97 g/mol.

Molecular Properties

Compound NameCID 158187464
PubChem CID158187464
Molecular FormulaC6H12B
Molecular Weight94.97 g/mol
Exact Mass95.10
IUPAC Name—
SMILESCC1CCCC1.[B]
InChIInChI=1S/C6H12.B/c1-6-4-2-3-5-6;/h6H,2-5H2,1H3;
InChIKeyHBFFWTSGWKCCMQ-UHFFFAOYSA-N
XLogP1.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.97
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 158187464?
The IUPAC name of CID 158187464 (CID 158187464) is not available.
What is the SMILES notation for CID 158187464?
The canonical SMILES for CID 158187464 is CC1CCCC1.[B].
What is the InChIKey of CID 158187464?
The InChIKey is HBFFWTSGWKCCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.B/c1-6-4-2-3-5-6;/h6H,2-5H2,1H3;.
What are the key properties of CID 158187464?
CID 158187464 has a molecular weight of 94.97 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158187464 is sourced from PubChem (CID 158187464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).