CID 159860963

C16H34LiO — CID 159860963

IUPAC—
SMILESCCCCCCCCOCCCCCCCC.[Li]
InChIInChI=1S/C16H34O.Li/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;/h3-16H2,1-2H3;
InChIKeyNRDHDAHZHVIWDE-UHFFFAOYSA-N
MW249.39 g/mol
LogP5.34
Rot. Bonds14

About CID 159860963

CID 159860963 (PubChem CID 159860963) has the molecular formula C16H34LiO and a molecular weight of 249.39 g/mol.

Molecular Properties

Compound NameCID 159860963
PubChem CID159860963
Molecular FormulaC16H34LiO
Molecular Weight249.39 g/mol
Exact Mass249.28
IUPAC Name—
SMILESCCCCCCCCOCCCCCCCC.[Li]
InChIInChI=1S/C16H34O.Li/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;/h3-16H2,1-2H3;
InChIKeyNRDHDAHZHVIWDE-UHFFFAOYSA-N
XLogP5.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.39
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 139884766
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
1-(2-decoxyethoxy)decane
CID 14009354
1-hexoxyhexane;yttrium
CID 87066735
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953

Frequently Asked Questions

What is the IUPAC name of CID 159860963?
The IUPAC name of CID 159860963 (CID 159860963) is not available.
What is the SMILES notation for CID 159860963?
The canonical SMILES for CID 159860963 is CCCCCCCCOCCCCCCCC.[Li].
What is the InChIKey of CID 159860963?
The InChIKey is NRDHDAHZHVIWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O.Li/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;/h3-16H2,1-2H3;.
What are the key properties of CID 159860963?
CID 159860963 has a molecular weight of 249.39 g/mol, XLogP of 5.34, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159860963 is sourced from PubChem (CID 159860963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).