CID 159036796

C16H34KO — CID 159036796

IUPAC—
SMILESCCCCCCCCOCCCCCCCC.[K]
InChIInChI=1S/C16H34O.K/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;/h3-16H2,1-2H3;
InChIKeyJVODXJSEMZLPJV-UHFFFAOYSA-N
MW281.54 g/mol
LogP5.34
Rot. Bonds14

About CID 159036796

CID 159036796 (PubChem CID 159036796) has the molecular formula C16H34KO and a molecular weight of 281.54 g/mol.

Molecular Properties

Compound NameCID 159036796
PubChem CID159036796
Molecular FormulaC16H34KO
Molecular Weight281.54 g/mol
Exact Mass281.22
IUPAC Name—
SMILESCCCCCCCCOCCCCCCCC.[K]
InChIInChI=1S/C16H34O.K/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;/h3-16H2,1-2H3;
InChIKeyJVODXJSEMZLPJV-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 ≤ 500281.54
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

1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
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 159036796?
The IUPAC name of CID 159036796 (CID 159036796) is not available.
What is the SMILES notation for CID 159036796?
The canonical SMILES for CID 159036796 is CCCCCCCCOCCCCCCCC.[K].
What is the InChIKey of CID 159036796?
The InChIKey is JVODXJSEMZLPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O.K/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 159036796?
CID 159036796 has a molecular weight of 281.54 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 159036796 is sourced from PubChem (CID 159036796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).