1-octoxyoctane;titanium

C16H34OTi — CID 158207327

IUPAC1-octoxyoctane;titanium
SMILESCCCCCCCCOCCCCCCCC.[Ti]
InChIInChI=1S/C16H34O.Ti/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;/h3-16H2,1-2H3;
InChIKeyGBQPSRKNFQIQKY-UHFFFAOYSA-N
MW290.31 g/mol
LogP5.72
Rot. Bonds14

About 1-octoxyoctane;titanium

1-octoxyoctane;titanium (PubChem CID 158207327) has the molecular formula C16H34OTi and a molecular weight of 290.31 g/mol. Its IUPAC name is 1-octoxyoctane;titanium.

Molecular Properties

Compound Name1-octoxyoctane;titanium
PubChem CID158207327
Molecular FormulaC16H34OTi
Molecular Weight290.31 g/mol
Exact Mass290.21
IUPAC Name1-octoxyoctane;titanium
SMILESCCCCCCCCOCCCCCCCC.[Ti]
InChIInChI=1S/C16H34O.Ti/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;/h3-16H2,1-2H3;
InChIKeyGBQPSRKNFQIQKY-UHFFFAOYSA-N
XLogP5.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.31
LogP ≤ 55.72
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 1-octoxyoctane;titanium?
The IUPAC name of 1-octoxyoctane;titanium (CID 158207327) is 1-octoxyoctane;titanium.
What is the SMILES notation for 1-octoxyoctane;titanium?
The canonical SMILES for 1-octoxyoctane;titanium is CCCCCCCCOCCCCCCCC.[Ti].
What is the InChIKey of 1-octoxyoctane;titanium?
The InChIKey is GBQPSRKNFQIQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O.Ti/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 1-octoxyoctane;titanium?
1-octoxyoctane;titanium has a molecular weight of 290.31 g/mol, XLogP of 5.72, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octoxyoctane;titanium is sourced from PubChem (CID 158207327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).