7-methyl-1-[(2-methylpropan-2-yl)oxy]-7-(2-methylpropoxy)undecane

C20H42O2 — CID 173202051

IUPAC7-methyl-1-[(2-methylpropan-2-yl)oxy]-7-(2-methylpropoxy)undecane
SMILESCCCCC(C)(CCCCCCOC(C)(C)C)OCC(C)C
InChIInChI=1S/C20H42O2/c1-8-9-14-20(7,22-17-18(2)3)15-12-10-11-13-16-21-19(4,5)6/h18H,8-17H2,1-7H3
InChIKeyYUQNDQBMDDTXAW-UHFFFAOYSA-N
MW314.55 g/mol
LogP6.37
Rot. Bonds13

About 7-methyl-1-[(2-methylpropan-2-yl)oxy]-7-(2-methylpropoxy)undecane

7-methyl-1-[(2-methylpropan-2-yl)oxy]-7-(2-methylpropoxy)undecane (PubChem CID 173202051) has the molecular formula C20H42O2 and a molecular weight of 314.55 g/mol. Its IUPAC name is 7-methyl-1-[(2-methylpropan-2-yl)oxy]-7-(2-methylpropoxy)undecane.

Molecular Properties

Compound Name7-methyl-1-[(2-methylpropan-2-yl)oxy]-7-(2-methylpropoxy)undecane
PubChem CID173202051
Molecular FormulaC20H42O2
Molecular Weight314.55 g/mol
Exact Mass314.32
IUPAC Name7-methyl-1-[(2-methylpropan-2-yl)oxy]-7-(2-methylpropoxy)undecane
SMILESCCCCC(C)(CCCCCCOC(C)(C)C)OCC(C)C
InChIInChI=1S/C20H42O2/c1-8-9-14-20(7,22-17-18(2)3)15-12-10-11-13-16-21-19(4,5)6/h18H,8-17H2,1-7H3
InChIKeyYUQNDQBMDDTXAW-UHFFFAOYSA-N
XLogP6.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.55
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-heptoxy-9-methylhenicosane
CID 91127088
1-[(2-methylpropan-2-yl)oxy]-8-(2-methylpropoxy)octane
CID 173256840
1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropoxy)butane
CID 139316790
lithium;hydride;1-[(2-methylpropan-2-yl)oxy]octane
CID 174475120
16-(10-fluorodecoxy)-16-methylhentriacontane
CID 139714709
7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane
CID 22907243
2-butoxy-1-hexoxy-1-(2-methylpropoxy)-1-pentoxy-2-propan-2-yloxyheptane;hydrate
CID 172861390
[6-butoxy-6-(2-methylpropoxy)-6-pentoxyhexyl] methyl carbonate
CID 151730310
2-methyl-1,10-bis[(2-methylpropan-2-yl)oxy]decane
CID 19888732
3-methyl-1-(3-methylpentan-3-yloxy)-3-(2-methylpropoxy)pentane
CID 89169879
(5E,7E)-14-[(2-methylpropan-2-yl)oxy]tetradeca-5,7-diene
CID 10515929
2-dodecoxy-2-methyltetradecane
CID 158074564

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-[(2-methylpropan-2-yl)oxy]-7-(2-methylpropoxy)undecane?
The IUPAC name of 7-methyl-1-[(2-methylpropan-2-yl)oxy]-7-(2-methylpropoxy)undecane (CID 173202051) is 7-methyl-1-[(2-methylpropan-2-yl)oxy]-7-(2-methylpropoxy)undecane.
What is the SMILES notation for 7-methyl-1-[(2-methylpropan-2-yl)oxy]-7-(2-methylpropoxy)undecane?
The canonical SMILES for 7-methyl-1-[(2-methylpropan-2-yl)oxy]-7-(2-methylpropoxy)undecane is CCCCC(C)(CCCCCCOC(C)(C)C)OCC(C)C.
What is the InChIKey of 7-methyl-1-[(2-methylpropan-2-yl)oxy]-7-(2-methylpropoxy)undecane?
The InChIKey is YUQNDQBMDDTXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O2/c1-8-9-14-20(7,22-17-18(2)3)15-12-10-11-13-16-21-19(4,5)6/h18H,8-17H2,1-7H3.
What are the key properties of 7-methyl-1-[(2-methylpropan-2-yl)oxy]-7-(2-methylpropoxy)undecane?
7-methyl-1-[(2-methylpropan-2-yl)oxy]-7-(2-methylpropoxy)undecane has a molecular weight of 314.55 g/mol, XLogP of 6.37, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-[(2-methylpropan-2-yl)oxy]-7-(2-methylpropoxy)undecane is sourced from PubChem (CID 173202051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).