CID 18986095

C8H18B — CID 18986095

IUPAC—
SMILESCCCCCCCC.[B]
InChIInChI=1S/C8H18.B/c1-3-5-7-8-6-4-2;/h3-8H2,1-2H3;
InChIKeyASOCKEVXFOZSCH-UHFFFAOYSA-N
MW125.04 g/mol
LogP2.99
Rot. Bonds5

About CID 18986095

CID 18986095 (PubChem CID 18986095) has the molecular formula C8H18B and a molecular weight of 125.04 g/mol.

Molecular Properties

Compound NameCID 18986095
PubChem CID18986095
Molecular FormulaC8H18B
Molecular Weight125.04 g/mol
Exact Mass125.15
IUPAC Name—
SMILESCCCCCCCC.[B]
InChIInChI=1S/C8H18.B/c1-3-5-7-8-6-4-2;/h3-8H2,1-2H3;
InChIKeyASOCKEVXFOZSCH-UHFFFAOYSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.04
LogP ≤ 52.99
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

dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341
heptahectane
CID 123338944
dopentacontahectane
CID 23391374

Frequently Asked Questions

What is the IUPAC name of CID 18986095?
The IUPAC name of CID 18986095 (CID 18986095) is not available.
What is the SMILES notation for CID 18986095?
The canonical SMILES for CID 18986095 is CCCCCCCC.[B].
What is the InChIKey of CID 18986095?
The InChIKey is ASOCKEVXFOZSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.B/c1-3-5-7-8-6-4-2;/h3-8H2,1-2H3;.
What are the key properties of CID 18986095?
CID 18986095 has a molecular weight of 125.04 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18986095 is sourced from PubChem (CID 18986095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).