3-ethyl-3-methoxy-1-[(2-methylpropan-2-yl)oxy]pentane

C12H26O2 — CID 123430125

IUPAC3-ethyl-3-methoxy-1-[(2-methylpropan-2-yl)oxy]pentane
SMILESCCC(CC)(CCOC(C)(C)C)OC
InChIInChI=1S/C12H26O2/c1-7-12(8-2,13-6)9-10-14-11(3,4)5/h7-10H2,1-6H3
InChIKeyBKIBGMJVDILAJP-UHFFFAOYSA-N
MW202.34 g/mol
LogP3.40
Rot. Bonds6

About 3-ethyl-3-methoxy-1-[(2-methylpropan-2-yl)oxy]pentane

3-ethyl-3-methoxy-1-[(2-methylpropan-2-yl)oxy]pentane (PubChem CID 123430125) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 3-ethyl-3-methoxy-1-[(2-methylpropan-2-yl)oxy]pentane.

Molecular Properties

Compound Name3-ethyl-3-methoxy-1-[(2-methylpropan-2-yl)oxy]pentane
PubChem CID123430125
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name3-ethyl-3-methoxy-1-[(2-methylpropan-2-yl)oxy]pentane
SMILESCCC(CC)(CCOC(C)(C)C)OC
InChIInChI=1S/C12H26O2/c1-7-12(8-2,13-6)9-10-14-11(3,4)5/h7-10H2,1-6H3
InChIKeyBKIBGMJVDILAJP-UHFFFAOYSA-N
XLogP3.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Amyl-t-butyl ether
CID 139094
Diathylather
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Diethyl ethyl propyl ether
CID 90692927
[4-(3-Methoxy-3-methylbutoxy)-4-methylpentyl] hypofluorite
CID 170030162
Pentyl tert-pentyl ether
CID 54156519
1-Methoxy-1,1-dimethyl-3-propoxypropane
CID 44602848
3-Methoxy-3-methyl-1-(2-methylpropoxy)butane
CID 44602849
3-Methoxy-3-methyl-1-(3-methylbutoxy)butane
CID 44602850
1,3-Diethoxy-3-methylbutane
CID 18667890
3-Ethoxy-3-(ethoxymethyl)pentane
CID 19354116
2-Methyl-4-(3-methylpentan-3-yloxy)butan-2-ol
CID 19602316
3-Ethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-ol
CID 20578015

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methoxy-1-[(2-methylpropan-2-yl)oxy]pentane?
The IUPAC name of 3-ethyl-3-methoxy-1-[(2-methylpropan-2-yl)oxy]pentane (CID 123430125) is 3-ethyl-3-methoxy-1-[(2-methylpropan-2-yl)oxy]pentane.
What is the SMILES notation for 3-ethyl-3-methoxy-1-[(2-methylpropan-2-yl)oxy]pentane?
The canonical SMILES for 3-ethyl-3-methoxy-1-[(2-methylpropan-2-yl)oxy]pentane is CCC(CC)(CCOC(C)(C)C)OC.
What is the InChIKey of 3-ethyl-3-methoxy-1-[(2-methylpropan-2-yl)oxy]pentane?
The InChIKey is BKIBGMJVDILAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-7-12(8-2,13-6)9-10-14-11(3,4)5/h7-10H2,1-6H3.
What are the key properties of 3-ethyl-3-methoxy-1-[(2-methylpropan-2-yl)oxy]pentane?
3-ethyl-3-methoxy-1-[(2-methylpropan-2-yl)oxy]pentane has a molecular weight of 202.34 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methoxy-1-[(2-methylpropan-2-yl)oxy]pentane is sourced from PubChem (CID 123430125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).