ethane;3-ethyl-1-(methoxymethoxy)hexane

C12H28O2 — CID 145144305

IUPACethane;3-ethyl-1-(methoxymethoxy)hexane
SMILESCC.CCCC(CC)CCOCOC
InChIInChI=1S/C10H22O2.C2H6/c1-4-6-10(5-2)7-8-12-9-11-3;1-2/h10H,4-9H2,1-3H3;1-2H3
InChIKeyWCXPCFVVNZJEMG-UHFFFAOYSA-N
MW204.35 g/mol
LogP3.85
Rot. Bonds8

About ethane;3-ethyl-1-(methoxymethoxy)hexane

ethane;3-ethyl-1-(methoxymethoxy)hexane (PubChem CID 145144305) has the molecular formula C12H28O2 and a molecular weight of 204.35 g/mol. Its IUPAC name is ethane;3-ethyl-1-(methoxymethoxy)hexane.

Molecular Properties

Compound Nameethane;3-ethyl-1-(methoxymethoxy)hexane
PubChem CID145144305
Molecular FormulaC12H28O2
Molecular Weight204.35 g/mol
Exact Mass204.21
IUPAC Nameethane;3-ethyl-1-(methoxymethoxy)hexane
SMILESCC.CCCC(CC)CCOCOC
InChIInChI=1S/C10H22O2.C2H6/c1-4-6-10(5-2)7-8-12-9-11-3;1-2/h10H,4-9H2,1-3H3;1-2H3
InChIKeyWCXPCFVVNZJEMG-UHFFFAOYSA-N
XLogP3.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.35
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-ethylheptane;methane
CID 143165373
ethane;4-(methoxymethyl)heptane;propane
CID 168880885
3-ethyl-1-(1-methoxyethoxy)hexane
CID 145144290
2-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 62718813
1,3,5-tris[3-(3-ethylhexoxy)propyl]-1,3,5-triazinane
CID 22661655
(3R)-3-ethyl-1-methoxynonane
CID 118890071
(5R)-N,N,5-triethyl-7-methoxyheptan-1-amine
CID 118890299
N-[2-(methoxymethoxy)ethyl]-N-propylpropan-1-amine
CID 58435480
2-[2-(methoxymethoxy)ethyl]propanedioic acid;2-[2-(methoxymethoxy)ethyl]propane-1,3-diol
CID 90868246
3-ethylhexyl hydrogen sulfite
CID 174958639
3-(bromomethyl)-1-(2-methylpropoxy)hexane
CID 106459617
1,5-dipropoxy-3-(2-propoxyethyl)pentane
CID 58572257

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-1-(methoxymethoxy)hexane?
The IUPAC name of ethane;3-ethyl-1-(methoxymethoxy)hexane (CID 145144305) is ethane;3-ethyl-1-(methoxymethoxy)hexane.
What is the SMILES notation for ethane;3-ethyl-1-(methoxymethoxy)hexane?
The canonical SMILES for ethane;3-ethyl-1-(methoxymethoxy)hexane is CC.CCCC(CC)CCOCOC.
What is the InChIKey of ethane;3-ethyl-1-(methoxymethoxy)hexane?
The InChIKey is WCXPCFVVNZJEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2.C2H6/c1-4-6-10(5-2)7-8-12-9-11-3;1-2/h10H,4-9H2,1-3H3;1-2H3.
What are the key properties of ethane;3-ethyl-1-(methoxymethoxy)hexane?
ethane;3-ethyl-1-(methoxymethoxy)hexane has a molecular weight of 204.35 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-1-(methoxymethoxy)hexane is sourced from PubChem (CID 145144305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).