CID 123664056

C15H31B — CID 123664056

IUPAC—
SMILES[B]C(CC)CCCCCCCCCCCC
InChIInChI=1S/C15H31B/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)4-2/h15H,3-14H2,1-2H3
InChIKeyFHCCZKXVBFFJNT-UHFFFAOYSA-N
MW222.22 g/mol
LogP5.66
Rot. Bonds12

About CID 123664056

CID 123664056 (PubChem CID 123664056) has the molecular formula C15H31B and a molecular weight of 222.22 g/mol.

Molecular Properties

Compound NameCID 123664056
PubChem CID123664056
Molecular FormulaC15H31B
Molecular Weight222.22 g/mol
Exact Mass222.25
IUPAC Name—
SMILES[B]C(CC)CCCCCCCCCCCC
InChIInChI=1S/C15H31B/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)4-2/h15H,3-14H2,1-2H3
InChIKeyFHCCZKXVBFFJNT-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.22
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-ethylpentacosane
CID 22224239
9,10-diethyloctadecane
CID 530164
3-ethylicosane
CID 528487
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
CID 173486870
CID 173486870
17-pentylhexatriacontane
CID 91327833
7,8-dihexylicosane
CID 21490611
11-pentylheptacosane
CID 91575569
7-pentylheptadecane
CID 528528

Frequently Asked Questions

What is the IUPAC name of CID 123664056?
The IUPAC name of CID 123664056 (CID 123664056) is not available.
What is the SMILES notation for CID 123664056?
The canonical SMILES for CID 123664056 is [B]C(CC)CCCCCCCCCCCC.
What is the InChIKey of CID 123664056?
The InChIKey is FHCCZKXVBFFJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31B/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)4-2/h15H,3-14H2,1-2H3.
What are the key properties of CID 123664056?
CID 123664056 has a molecular weight of 222.22 g/mol, XLogP of 5.66, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123664056 is sourced from PubChem (CID 123664056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).