3-ethyl-3-(methoxymethyl)hexane;prop-1-ene

C13H28O — CID 158901199

IUPAC3-ethyl-3-(methoxymethyl)hexane;prop-1-ene
SMILESC=CC.CCCC(CC)(CC)COC
InChIInChI=1S/C10H22O.C3H6/c1-5-8-10(6-2,7-3)9-11-4;1-3-2/h5-9H2,1-4H3;3H,1H2,2H3
InChIKeyJFLVSCAYEJJOLF-UHFFFAOYSA-N
MW200.37 g/mol
LogP4.43
Rot. Bonds6

About 3-ethyl-3-(methoxymethyl)hexane;prop-1-ene

3-ethyl-3-(methoxymethyl)hexane;prop-1-ene (PubChem CID 158901199) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is 3-ethyl-3-(methoxymethyl)hexane;prop-1-ene.

Molecular Properties

Compound Name3-ethyl-3-(methoxymethyl)hexane;prop-1-ene
PubChem CID158901199
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name3-ethyl-3-(methoxymethyl)hexane;prop-1-ene
SMILESC=CC.CCCC(CC)(CC)COC
InChIInChI=1S/C10H22O.C3H6/c1-5-8-10(6-2,7-3)9-11-4;1-3-2/h5-9H2,1-4H3;3H,1H2,2H3
InChIKeyJFLVSCAYEJJOLF-UHFFFAOYSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(methoxymethyl)-N,N-dimethyl-2-propylpentan-1-amine
CID 71361648
2-ethyl-2-(methoxymethyl)-N-propylbutan-1-amine
CID 103984566
4,4-bis(ethenoxymethyl)hexadecane
CID 126727088
2-(methoxymethyl)-2-propyldecan-1-amine
CID 139968844
3,3-bis(ethenoxymethyl)tetradecane
CID 134531183
1-methoxy-2,2-dimethylpentane
CID 57120820
1-methoxy-2-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxymethyl]butane
CID 86682667
1-methoxy-2,2-bis[(2-methylpropan-2-yl)oxymethyl]butane
CID 171725386
1-methoxy-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)pentane;1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)propane
CID 90942370
[2-(methoxymethyl)-2-(prop-2-enoyloxymethoxymethyl)butoxy]methyl prop-2-enoate
CID 129178860
ethane;1-ethoxy-2,2-bis(methoxymethyl)butane;vanadium
CID 144965251
2-(methoxymethyl)-N-methyl-2-propyldecan-1-amine
CID 139968871

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(methoxymethyl)hexane;prop-1-ene?
The IUPAC name of 3-ethyl-3-(methoxymethyl)hexane;prop-1-ene (CID 158901199) is 3-ethyl-3-(methoxymethyl)hexane;prop-1-ene.
What is the SMILES notation for 3-ethyl-3-(methoxymethyl)hexane;prop-1-ene?
The canonical SMILES for 3-ethyl-3-(methoxymethyl)hexane;prop-1-ene is C=CC.CCCC(CC)(CC)COC.
What is the InChIKey of 3-ethyl-3-(methoxymethyl)hexane;prop-1-ene?
The InChIKey is JFLVSCAYEJJOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O.C3H6/c1-5-8-10(6-2,7-3)9-11-4;1-3-2/h5-9H2,1-4H3;3H,1H2,2H3.
What are the key properties of 3-ethyl-3-(methoxymethyl)hexane;prop-1-ene?
3-ethyl-3-(methoxymethyl)hexane;prop-1-ene has a molecular weight of 200.37 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(methoxymethyl)hexane;prop-1-ene is sourced from PubChem (CID 158901199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).