methane;1-(2-methoxybutoxy)hexadecane

C23H52O2 — CID 161162906

IUPACmethane;1-(2-methoxybutoxy)hexadecane
SMILESC.C.CCCCCCCCCCCCCCCCOCC(CC)OC
InChIInChI=1S/C21H44O2.2CH4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-21(5-2)22-3;;/h21H,4-20H2,1-3H3;2*1H4
InChIKeyUQDQOPFXVZXEQN-UHFFFAOYSA-N
MW360.67 g/mol
LogP8.18
Rot. Bonds19

About methane;1-(2-methoxybutoxy)hexadecane

methane;1-(2-methoxybutoxy)hexadecane (PubChem CID 161162906) has the molecular formula C23H52O2 and a molecular weight of 360.67 g/mol. Its IUPAC name is methane;1-(2-methoxybutoxy)hexadecane.

Molecular Properties

Compound Namemethane;1-(2-methoxybutoxy)hexadecane
PubChem CID161162906
Molecular FormulaC23H52O2
Molecular Weight360.67 g/mol
Exact Mass360.40
IUPAC Namemethane;1-(2-methoxybutoxy)hexadecane
SMILESC.C.CCCCCCCCCCCCCCCCOCC(CC)OC
InChIInChI=1S/C21H44O2.2CH4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-21(5-2)22-3;;/h21H,4-20H2,1-3H3;2*1H4
InChIKeyUQDQOPFXVZXEQN-UHFFFAOYSA-N
XLogP8.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.67
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-hexoxy-2-methoxypropoxy)hexane
CID 163381100
(2R)-3-hexadecoxy-2-methoxypropan-1-ol
CID 10065250
3-hexadecoxy-2-methoxypropan-1-amine
CID 14992264
(3S)-4-hexadecoxy-3-methoxybutan-1-ol
CID 11393808
10-(3-hexadecoxy-2-methoxypropoxy)decyl-trimethylazanium
CID 14654659
1-[2,3-di(tridecoxy)propoxy]tridecane
CID 71331054
1-[2,3-di(octacosoxy)propoxy]octacosane
CID 139785017
1-(2-ethylbutoxy)decane
CID 22002893
dihydroxy-[(2R)-2-methoxy-3-octadecoxypropoxy]-sulfanylidene-λ5-phosphane
CID 71719457
methanesulfonic acid;(2R)-2-methoxy-3-octadecoxypropan-1-ol
CID 71407762
1-(2-methylpropoxy)tridecane
CID 91526471
1-(2-methylpropoxy)undecane
CID 58527571

Frequently Asked Questions

What is the IUPAC name of methane;1-(2-methoxybutoxy)hexadecane?
The IUPAC name of methane;1-(2-methoxybutoxy)hexadecane (CID 161162906) is methane;1-(2-methoxybutoxy)hexadecane.
What is the SMILES notation for methane;1-(2-methoxybutoxy)hexadecane?
The canonical SMILES for methane;1-(2-methoxybutoxy)hexadecane is C.C.CCCCCCCCCCCCCCCCOCC(CC)OC.
What is the InChIKey of methane;1-(2-methoxybutoxy)hexadecane?
The InChIKey is UQDQOPFXVZXEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O2.2CH4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-21(5-2)22-3;;/h21H,4-20H2,1-3H3;2*1H4.
What are the key properties of methane;1-(2-methoxybutoxy)hexadecane?
methane;1-(2-methoxybutoxy)hexadecane has a molecular weight of 360.67 g/mol, XLogP of 8.18, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-(2-methoxybutoxy)hexadecane is sourced from PubChem (CID 161162906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).