ethane;5-(methoxymethyl)-5-methyl-1,3-dioxane;1,4-xylene

C17H30O3 — CID 143729265

IUPACethane;5-(methoxymethyl)-5-methyl-1,3-dioxane;1,4-xylene
SMILESCC.COCC1(C)COCOC1.Cc1ccc(C)cc1
InChIInChI=1S/C8H10.C7H14O3.C2H6/c1-7-3-5-8(2)6-4-7;1-7(3-8-2)4-9-6-10-5-7;1-2/h3-6H,1-2H3;3-6H2,1-2H3;1-2H3
InChIKeyHHTKVLJUVOFIRI-UHFFFAOYSA-N
MW282.42 g/mol
LogP3.97
Rot. Bonds2

About ethane;5-(methoxymethyl)-5-methyl-1,3-dioxane;1,4-xylene

ethane;5-(methoxymethyl)-5-methyl-1,3-dioxane;1,4-xylene (PubChem CID 143729265) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is ethane;5-(methoxymethyl)-5-methyl-1,3-dioxane;1,4-xylene.

Molecular Properties

Compound Nameethane;5-(methoxymethyl)-5-methyl-1,3-dioxane;1,4-xylene
PubChem CID143729265
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Nameethane;5-(methoxymethyl)-5-methyl-1,3-dioxane;1,4-xylene
SMILESCC.COCC1(C)COCOC1.Cc1ccc(C)cc1
InChIInChI=1S/C8H10.C7H14O3.C2H6/c1-7-3-5-8(2)6-4-7;1-7(3-8-2)4-9-6-10-5-7;1-2/h3-6H,1-2H3;3-6H2,1-2H3;1-2H3
InChIKeyHHTKVLJUVOFIRI-UHFFFAOYSA-N
XLogP3.97
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-5-[(5-methyl-1,3-dioxan-5-yl)methoxymethyl]-1,3-dioxane
CID 130368124
(3-methyloxetan-3-yl)methyl 4-methylbenzenesulfonate
CID 5461213
but-1-ene;3-(methoxymethyl)-3-methyloxetane
CID 159175091
3-ethyl-3-(methoxymethyl)oxetane;3-(methoxymethyl)-3-methyloxetane
CID 159055138
2-(methoxymethyl)-2-(4-methylphenyl)-1,3-dioxolane
CID 23579449
1-(2-methoxy-5-methylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 78957307
1,3-bis(methoxymethyl)-1,3-dimethylcyclobutane
CID 20689593
2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-[2-(4-methylphenoxy)ethyl]guanidine
CID 111829963
dichloromethane;4-methylbenzenesulfonyl chloride;(3-methyloxetan-3-yl)methanol;(3-methyloxetan-3-yl)methyl 4-methylbenzenesulfonate
CID 159152785
ethane;(3-methyloxetan-3-yl)methyl 2-methylbenzoate
CID 142830162
1-(2,4-dimethylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 78957495
sodium [5-methyl-2-(4-methylphenyl)-1,3-dioxan-5-yl]methyl sulfate
CID 23683539

Frequently Asked Questions

What is the IUPAC name of ethane;5-(methoxymethyl)-5-methyl-1,3-dioxane;1,4-xylene?
The IUPAC name of ethane;5-(methoxymethyl)-5-methyl-1,3-dioxane;1,4-xylene (CID 143729265) is ethane;5-(methoxymethyl)-5-methyl-1,3-dioxane;1,4-xylene.
What is the SMILES notation for ethane;5-(methoxymethyl)-5-methyl-1,3-dioxane;1,4-xylene?
The canonical SMILES for ethane;5-(methoxymethyl)-5-methyl-1,3-dioxane;1,4-xylene is CC.COCC1(C)COCOC1.Cc1ccc(C)cc1.
What is the InChIKey of ethane;5-(methoxymethyl)-5-methyl-1,3-dioxane;1,4-xylene?
The InChIKey is HHTKVLJUVOFIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C7H14O3.C2H6/c1-7-3-5-8(2)6-4-7;1-7(3-8-2)4-9-6-10-5-7;1-2/h3-6H,1-2H3;3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;5-(methoxymethyl)-5-methyl-1,3-dioxane;1,4-xylene?
ethane;5-(methoxymethyl)-5-methyl-1,3-dioxane;1,4-xylene has a molecular weight of 282.42 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(methoxymethyl)-5-methyl-1,3-dioxane;1,4-xylene is sourced from PubChem (CID 143729265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).