ethene;1-octoxyoctane;hydrate

C18H40O2 — CID 174394810

IUPACethene;1-octoxyoctane;hydrate
SMILESC=C.CCCCCCCCOCCCCCCCC.O
InChIInChI=1S/C16H34O.C2H4.H2O/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;1-2;/h3-16H2,1-2H3;1-2H2;1H2
InChIKeyUAYIVNKZOURZDZ-UHFFFAOYSA-N
MW288.52 g/mol
LogP5.70
Rot. Bonds14

About ethene;1-octoxyoctane;hydrate

ethene;1-octoxyoctane;hydrate (PubChem CID 174394810) has the molecular formula C18H40O2 and a molecular weight of 288.52 g/mol. Its IUPAC name is ethene;1-octoxyoctane;hydrate.

Molecular Properties

Compound Nameethene;1-octoxyoctane;hydrate
PubChem CID174394810
Molecular FormulaC18H40O2
Molecular Weight288.52 g/mol
Exact Mass288.30
IUPAC Nameethene;1-octoxyoctane;hydrate
SMILESC=C.CCCCCCCCOCCCCCCCC.O
InChIInChI=1S/C16H34O.C2H4.H2O/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;1-2;/h3-16H2,1-2H3;1-2H2;1H2
InChIKeyUAYIVNKZOURZDZ-UHFFFAOYSA-N
XLogP5.70
TPSA40.73 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.52
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
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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-butoxybutane;1-butoxyhexane;ethane;ethene;methane
CID 162134079
methane;1-pentoxypentane;hydrate
CID 175598954
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
1-(2-decoxyethoxy)decane
CID 14009354

Frequently Asked Questions

What is the IUPAC name of ethene;1-octoxyoctane;hydrate?
The IUPAC name of ethene;1-octoxyoctane;hydrate (CID 174394810) is ethene;1-octoxyoctane;hydrate.
What is the SMILES notation for ethene;1-octoxyoctane;hydrate?
The canonical SMILES for ethene;1-octoxyoctane;hydrate is C=C.CCCCCCCCOCCCCCCCC.O.
What is the InChIKey of ethene;1-octoxyoctane;hydrate?
The InChIKey is UAYIVNKZOURZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O.C2H4.H2O/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;1-2;/h3-16H2,1-2H3;1-2H2;1H2.
What are the key properties of ethene;1-octoxyoctane;hydrate?
ethene;1-octoxyoctane;hydrate has a molecular weight of 288.52 g/mol, XLogP of 5.70, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-octoxyoctane;hydrate is sourced from PubChem (CID 174394810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).