1-hexoxyhexane;yttrium

C12H26OY — CID 87066735

IUPAC1-hexoxyhexane;yttrium
SMILESCCCCCCOCCCCCC.[Y]
InChIInChI=1S/C12H26O.Y/c1-3-5-7-9-11-13-12-10-8-6-4-2;/h3-12H2,1-2H3;
InChIKeyOFBPRPFUQIEATC-UHFFFAOYSA-N
MW275.24 g/mol
LogP4.16
Rot. Bonds10

About 1-hexoxyhexane;yttrium

1-hexoxyhexane;yttrium (PubChem CID 87066735) has the molecular formula C12H26OY and a molecular weight of 275.24 g/mol. Its IUPAC name is 1-hexoxyhexane;yttrium.

Molecular Properties

Compound Name1-hexoxyhexane;yttrium
PubChem CID87066735
Molecular FormulaC12H26OY
Molecular Weight275.24 g/mol
Exact Mass275.10
IUPAC Name1-hexoxyhexane;yttrium
SMILESCCCCCCOCCCCCC.[Y]
InChIInChI=1S/C12H26O.Y/c1-3-5-7-9-11-13-12-10-8-6-4-2;/h3-12H2,1-2H3;
InChIKeyOFBPRPFUQIEATC-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 54.16
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-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953
1-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151767279

Frequently Asked Questions

What is the IUPAC name of 1-hexoxyhexane;yttrium?
The IUPAC name of 1-hexoxyhexane;yttrium (CID 87066735) is 1-hexoxyhexane;yttrium.
What is the SMILES notation for 1-hexoxyhexane;yttrium?
The canonical SMILES for 1-hexoxyhexane;yttrium is CCCCCCOCCCCCC.[Y].
What is the InChIKey of 1-hexoxyhexane;yttrium?
The InChIKey is OFBPRPFUQIEATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O.Y/c1-3-5-7-9-11-13-12-10-8-6-4-2;/h3-12H2,1-2H3;.
What are the key properties of 1-hexoxyhexane;yttrium?
1-hexoxyhexane;yttrium has a molecular weight of 275.24 g/mol, XLogP of 4.16, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexoxyhexane;yttrium is sourced from PubChem (CID 87066735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).