CID 161216038

C18H38Na — CID 161216038

IUPAC—
SMILESCCCCCCCCCCCCCCCCCC.[Na]
InChIInChI=1S/C18H38.Na/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;/h3-18H2,1-2H3;
InChIKeyUWWKVVHDJHVICN-UHFFFAOYSA-N
MW277.49 g/mol
LogP6.89
Rot. Bonds15

About CID 161216038

CID 161216038 (PubChem CID 161216038) has the molecular formula C18H38Na and a molecular weight of 277.49 g/mol.

Molecular Properties

Compound NameCID 161216038
PubChem CID161216038
Molecular FormulaC18H38Na
Molecular Weight277.49 g/mol
Exact Mass277.29
IUPAC Name—
SMILESCCCCCCCCCCCCCCCCCC.[Na]
InChIInChI=1S/C18H38.Na/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;/h3-18H2,1-2H3;
InChIKeyUWWKVVHDJHVICN-UHFFFAOYSA-N
XLogP6.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.49
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 172851421
CID 172851421
(1,2,3,4,5,6,7,8,9,10,11,12-13C12)dodecane
CID 71309250
dodecane;pentadecane
CID 162065772
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

Frequently Asked Questions

What is the IUPAC name of CID 161216038?
The IUPAC name of CID 161216038 (CID 161216038) is not available.
What is the SMILES notation for CID 161216038?
The canonical SMILES for CID 161216038 is CCCCCCCCCCCCCCCCCC.[Na].
What is the InChIKey of CID 161216038?
The InChIKey is UWWKVVHDJHVICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38.Na/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;/h3-18H2,1-2H3;.
What are the key properties of CID 161216038?
CID 161216038 has a molecular weight of 277.49 g/mol, XLogP of 6.89, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161216038 is sourced from PubChem (CID 161216038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).