methane;1-pentoxypentane;hydrate

C11H28O2 — CID 175598954

IUPACmethane;1-pentoxypentane;hydrate
SMILESC.CCCCCOCCCCC.O
InChIInChI=1S/C10H22O.CH4.H2O/c1-3-5-7-9-11-10-8-6-4-2;;/h3-10H2,1-2H3;1H4;1H2
InChIKeyHZQMXEZUAUSBBK-UHFFFAOYSA-N
MW192.34 g/mol
LogP3.19
Rot. Bonds8

About methane;1-pentoxypentane;hydrate

methane;1-pentoxypentane;hydrate (PubChem CID 175598954) has the molecular formula C11H28O2 and a molecular weight of 192.34 g/mol. Its IUPAC name is methane;1-pentoxypentane;hydrate.

Molecular Properties

Compound Namemethane;1-pentoxypentane;hydrate
PubChem CID175598954
Molecular FormulaC11H28O2
Molecular Weight192.34 g/mol
Exact Mass192.21
IUPAC Namemethane;1-pentoxypentane;hydrate
SMILESC.CCCCCOCCCCC.O
InChIInChI=1S/C10H22O.CH4.H2O/c1-3-5-7-9-11-10-8-6-4-2;;/h3-10H2,1-2H3;1H4;1H2
InChIKeyHZQMXEZUAUSBBK-UHFFFAOYSA-N
XLogP3.19
TPSA40.73 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.34
LogP ≤ 53.19
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
ethene;1-octoxyoctane;hydrate
CID 174394810
1-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151767279
1-(2-decoxyethoxy)decane
CID 14009354
1-hexoxyhexane;yttrium
CID 87066735

Frequently Asked Questions

What is the IUPAC name of methane;1-pentoxypentane;hydrate?
The IUPAC name of methane;1-pentoxypentane;hydrate (CID 175598954) is methane;1-pentoxypentane;hydrate.
What is the SMILES notation for methane;1-pentoxypentane;hydrate?
The canonical SMILES for methane;1-pentoxypentane;hydrate is C.CCCCCOCCCCC.O.
What is the InChIKey of methane;1-pentoxypentane;hydrate?
The InChIKey is HZQMXEZUAUSBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O.CH4.H2O/c1-3-5-7-9-11-10-8-6-4-2;;/h3-10H2,1-2H3;1H4;1H2.
What are the key properties of methane;1-pentoxypentane;hydrate?
methane;1-pentoxypentane;hydrate has a molecular weight of 192.34 g/mol, XLogP of 3.19, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-pentoxypentane;hydrate is sourced from PubChem (CID 175598954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).