1-methoxy-2,2,3,3,5-pentamethyl-5-[(2-methylpropan-2-yl)oxy]hexane

C16H34O2 — CID 118260029

IUPAC1-methoxy-2,2,3,3,5-pentamethyl-5-[(2-methylpropan-2-yl)oxy]hexane
SMILESCOCC(C)(C)C(C)(C)CC(C)(C)OC(C)(C)C
InChIInChI=1S/C16H34O2/c1-13(2,3)18-16(8,9)11-14(4,5)15(6,7)12-17-10/h11-12H2,1-10H3
InChIKeyIARINNVMKIOABL-UHFFFAOYSA-N
MW258.45 g/mol
LogP4.67
Rot. Bonds6

About 1-methoxy-2,2,3,3,5-pentamethyl-5-[(2-methylpropan-2-yl)oxy]hexane

1-methoxy-2,2,3,3,5-pentamethyl-5-[(2-methylpropan-2-yl)oxy]hexane (PubChem CID 118260029) has the molecular formula C16H34O2 and a molecular weight of 258.45 g/mol. Its IUPAC name is 1-methoxy-2,2,3,3,5-pentamethyl-5-[(2-methylpropan-2-yl)oxy]hexane.

Molecular Properties

Compound Name1-methoxy-2,2,3,3,5-pentamethyl-5-[(2-methylpropan-2-yl)oxy]hexane
PubChem CID118260029
Molecular FormulaC16H34O2
Molecular Weight258.45 g/mol
Exact Mass258.26
IUPAC Name1-methoxy-2,2,3,3,5-pentamethyl-5-[(2-methylpropan-2-yl)oxy]hexane
SMILESCOCC(C)(C)C(C)(C)CC(C)(C)OC(C)(C)C
InChIInChI=1S/C16H34O2/c1-13(2,3)18-16(8,9)11-14(4,5)15(6,7)12-17-10/h11-12H2,1-10H3
InChIKeyIARINNVMKIOABL-UHFFFAOYSA-N
XLogP4.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-3,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxy]hexane
CID 129235269
1-methoxy-2,2-dimethylpropane
CID 160639316
3,5-bis(methoxymethyl)-3,5-dimethylheptane
CID 21036025
tris[(1-methoxy-2-methylpropan-2-yl)oxy]alumane
CID 16697849
2-chloro-1,3-dimethoxy-2-methylpropane
CID 10986447
1-methoxy-2,2-dimethylpropane;molecular hydrogen
CID 167547709
magnesium;1-methoxy-2,2-dimethylpropane;dichloride
CID 175512317
[2-methyl-2-[(2-methylpropan-2-yl)oxy]propyl] methanesulfonate
CID 89330129
1,1-dichloro-3-methyl-3-[(2-methylpropan-2-yl)oxy]butane
CID 141078640
(2R)-1-chloro-3-ethyl-2,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxy]hexane
CID 129235244
copper;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
CID 90105621
lithium 2-methanidyl-1,3-dimethoxy-2-methylpropane
CID 14789976

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,2,3,3,5-pentamethyl-5-[(2-methylpropan-2-yl)oxy]hexane?
The IUPAC name of 1-methoxy-2,2,3,3,5-pentamethyl-5-[(2-methylpropan-2-yl)oxy]hexane (CID 118260029) is 1-methoxy-2,2,3,3,5-pentamethyl-5-[(2-methylpropan-2-yl)oxy]hexane.
What is the SMILES notation for 1-methoxy-2,2,3,3,5-pentamethyl-5-[(2-methylpropan-2-yl)oxy]hexane?
The canonical SMILES for 1-methoxy-2,2,3,3,5-pentamethyl-5-[(2-methylpropan-2-yl)oxy]hexane is COCC(C)(C)C(C)(C)CC(C)(C)OC(C)(C)C.
What is the InChIKey of 1-methoxy-2,2,3,3,5-pentamethyl-5-[(2-methylpropan-2-yl)oxy]hexane?
The InChIKey is IARINNVMKIOABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2/c1-13(2,3)18-16(8,9)11-14(4,5)15(6,7)12-17-10/h11-12H2,1-10H3.
What are the key properties of 1-methoxy-2,2,3,3,5-pentamethyl-5-[(2-methylpropan-2-yl)oxy]hexane?
1-methoxy-2,2,3,3,5-pentamethyl-5-[(2-methylpropan-2-yl)oxy]hexane has a molecular weight of 258.45 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,2,3,3,5-pentamethyl-5-[(2-methylpropan-2-yl)oxy]hexane is sourced from PubChem (CID 118260029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).