2-(2,3-dimethylpentan-2-yloxy)-4,4-diethyl-3,5-dimethylheptane

C20H42O — CID 91095742

IUPAC2-(2,3-dimethylpentan-2-yloxy)-4,4-diethyl-3,5-dimethylheptane
SMILESCCC(C)C(C)(C)OC(C)C(C)C(CC)(CC)C(C)CC
InChIInChI=1S/C20H42O/c1-11-15(5)19(9,10)21-18(8)17(7)20(13-3,14-4)16(6)12-2/h15-18H,11-14H2,1-10H3
InChIKeyBIWIUDZYUTYKET-UHFFFAOYSA-N
MW298.56 g/mol
LogP6.70
Rot. Bonds10

About 2-(2,3-dimethylpentan-2-yloxy)-4,4-diethyl-3,5-dimethylheptane

2-(2,3-dimethylpentan-2-yloxy)-4,4-diethyl-3,5-dimethylheptane (PubChem CID 91095742) has the molecular formula C20H42O and a molecular weight of 298.56 g/mol. Its IUPAC name is 2-(2,3-dimethylpentan-2-yloxy)-4,4-diethyl-3,5-dimethylheptane.

Molecular Properties

Compound Name2-(2,3-dimethylpentan-2-yloxy)-4,4-diethyl-3,5-dimethylheptane
PubChem CID91095742
Molecular FormulaC20H42O
Molecular Weight298.56 g/mol
Exact Mass298.32
IUPAC Name2-(2,3-dimethylpentan-2-yloxy)-4,4-diethyl-3,5-dimethylheptane
SMILESCCC(C)C(C)(C)OC(C)C(C)C(CC)(CC)C(C)CC
InChIInChI=1S/C20H42O/c1-11-15(5)19(9,10)21-18(8)17(7)20(13-3,14-4)16(6)12-2/h15-18H,11-14H2,1-10H3
InChIKeyBIWIUDZYUTYKET-UHFFFAOYSA-N
XLogP6.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.56
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylpentan-2-yloxy)-4,4-diethyl-3,5-dimethylheptane?
The IUPAC name of 2-(2,3-dimethylpentan-2-yloxy)-4,4-diethyl-3,5-dimethylheptane (CID 91095742) is 2-(2,3-dimethylpentan-2-yloxy)-4,4-diethyl-3,5-dimethylheptane.
What is the SMILES notation for 2-(2,3-dimethylpentan-2-yloxy)-4,4-diethyl-3,5-dimethylheptane?
The canonical SMILES for 2-(2,3-dimethylpentan-2-yloxy)-4,4-diethyl-3,5-dimethylheptane is CCC(C)C(C)(C)OC(C)C(C)C(CC)(CC)C(C)CC.
What is the InChIKey of 2-(2,3-dimethylpentan-2-yloxy)-4,4-diethyl-3,5-dimethylheptane?
The InChIKey is BIWIUDZYUTYKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O/c1-11-15(5)19(9,10)21-18(8)17(7)20(13-3,14-4)16(6)12-2/h15-18H,11-14H2,1-10H3.
What are the key properties of 2-(2,3-dimethylpentan-2-yloxy)-4,4-diethyl-3,5-dimethylheptane?
2-(2,3-dimethylpentan-2-yloxy)-4,4-diethyl-3,5-dimethylheptane has a molecular weight of 298.56 g/mol, XLogP of 6.70, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylpentan-2-yloxy)-4,4-diethyl-3,5-dimethylheptane is sourced from PubChem (CID 91095742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).