ethane;4-(methoxymethyl)-4-methyloxane

C10H22O2 — CID 143251015

IUPACethane;4-(methoxymethyl)-4-methyloxane
SMILESCC.COCC1(C)CCOCC1
InChIInChI=1S/C8H16O2.C2H6/c1-8(7-9-2)3-5-10-6-4-8;1-2/h3-7H2,1-2H3;1-2H3
InChIKeyPFZMYEWKFULSQQ-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.48
Rot. Bonds2

About ethane;4-(methoxymethyl)-4-methyloxane

ethane;4-(methoxymethyl)-4-methyloxane (PubChem CID 143251015) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is ethane;4-(methoxymethyl)-4-methyloxane.

Molecular Properties

Compound Nameethane;4-(methoxymethyl)-4-methyloxane
PubChem CID143251015
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Nameethane;4-(methoxymethyl)-4-methyloxane
SMILESCC.COCC1(C)CCOCC1
InChIInChI=1S/C8H16O2.C2H6/c1-8(7-9-2)3-5-10-6-4-8;1-2/h3-7H2,1-2H3;1-2H3
InChIKeyPFZMYEWKFULSQQ-UHFFFAOYSA-N
XLogP2.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Ethyloxan-4-yl)methanol
CID 66024089
[4-(Methoxymethyl)oxan-4-yl]methanol
CID 121599155
4,4-dimethyltetrahydro-2H-pyran
CID 643055
4-Ethynyl-4-(methoxymethyl)oxane
CID 177798191
3,3,5,5-Tetramethyl-2,3,5,6-tetrahydropyran-
CID 53917497
4-(Methoxymethyl)-4-(trifluoromethyl)oxane
CID 172587999
4-Ethyl-4-methyloxane
CID 15620801
4,4-Diethyloxane
CID 21827293
4,4-Ditert-butyloxane
CID 22953095
3-Methoxy-4,4-dimethyloxane
CID 23533609
1,5-Diethoxy-3-(ethoxymethyl)-3-methylpentane
CID 23553099
1-(3,3-Dimethylpentoxy)-3,3-dimethylpentane
CID 57226434

Frequently Asked Questions

What is the IUPAC name of ethane;4-(methoxymethyl)-4-methyloxane?
The IUPAC name of ethane;4-(methoxymethyl)-4-methyloxane (CID 143251015) is ethane;4-(methoxymethyl)-4-methyloxane.
What is the SMILES notation for ethane;4-(methoxymethyl)-4-methyloxane?
The canonical SMILES for ethane;4-(methoxymethyl)-4-methyloxane is CC.COCC1(C)CCOCC1.
What is the InChIKey of ethane;4-(methoxymethyl)-4-methyloxane?
The InChIKey is PFZMYEWKFULSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C2H6/c1-8(7-9-2)3-5-10-6-4-8;1-2/h3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;4-(methoxymethyl)-4-methyloxane?
ethane;4-(methoxymethyl)-4-methyloxane has a molecular weight of 174.28 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(methoxymethyl)-4-methyloxane is sourced from PubChem (CID 143251015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).