ethanol;2,3,4-trimethyl-3-(2,3,4-trimethylpentan-3-yloxy)pentane

C18H40O2 — CID 87535466

IUPACethanol;2,3,4-trimethyl-3-(2,3,4-trimethylpentan-3-yloxy)pentane
SMILESCC(C)C(C)(OC(C)(C(C)C)C(C)C)C(C)C.CCO
InChIInChI=1S/C16H34O.C2H6O/c1-11(2)15(9,12(3)4)17-16(10,13(5)6)14(7)8;1-2-3/h11-14H,1-10H3;3H,2H2,1H3
InChIKeyBWTKOUIGRRKRCU-UHFFFAOYSA-N
MW288.52 g/mol
LogP5.14
Rot. Bonds6

About ethanol;2,3,4-trimethyl-3-(2,3,4-trimethylpentan-3-yloxy)pentane

ethanol;2,3,4-trimethyl-3-(2,3,4-trimethylpentan-3-yloxy)pentane (PubChem CID 87535466) has the molecular formula C18H40O2 and a molecular weight of 288.52 g/mol. Its IUPAC name is ethanol;2,3,4-trimethyl-3-(2,3,4-trimethylpentan-3-yloxy)pentane.

Molecular Properties

Compound Nameethanol;2,3,4-trimethyl-3-(2,3,4-trimethylpentan-3-yloxy)pentane
PubChem CID87535466
Molecular FormulaC18H40O2
Molecular Weight288.52 g/mol
Exact Mass288.30
IUPAC Nameethanol;2,3,4-trimethyl-3-(2,3,4-trimethylpentan-3-yloxy)pentane
SMILESCC(C)C(C)(OC(C)(C(C)C)C(C)C)C(C)C.CCO
InChIInChI=1S/C16H34O.C2H6O/c1-11(2)15(9,12(3)4)17-16(10,13(5)6)14(7)8;1-2-3/h11-14H,1-10H3;3H,2H2,1H3
InChIKeyBWTKOUIGRRKRCU-UHFFFAOYSA-N
XLogP5.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.52
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethanol;2,3,4-trimethyl-3-(2,3,4-trimethylpentan-3-yloxy)pentane?
The IUPAC name of ethanol;2,3,4-trimethyl-3-(2,3,4-trimethylpentan-3-yloxy)pentane (CID 87535466) is ethanol;2,3,4-trimethyl-3-(2,3,4-trimethylpentan-3-yloxy)pentane.
What is the SMILES notation for ethanol;2,3,4-trimethyl-3-(2,3,4-trimethylpentan-3-yloxy)pentane?
The canonical SMILES for ethanol;2,3,4-trimethyl-3-(2,3,4-trimethylpentan-3-yloxy)pentane is CC(C)C(C)(OC(C)(C(C)C)C(C)C)C(C)C.CCO.
What is the InChIKey of ethanol;2,3,4-trimethyl-3-(2,3,4-trimethylpentan-3-yloxy)pentane?
The InChIKey is BWTKOUIGRRKRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O.C2H6O/c1-11(2)15(9,12(3)4)17-16(10,13(5)6)14(7)8;1-2-3/h11-14H,1-10H3;3H,2H2,1H3.
What are the key properties of ethanol;2,3,4-trimethyl-3-(2,3,4-trimethylpentan-3-yloxy)pentane?
ethanol;2,3,4-trimethyl-3-(2,3,4-trimethylpentan-3-yloxy)pentane has a molecular weight of 288.52 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;2,3,4-trimethyl-3-(2,3,4-trimethylpentan-3-yloxy)pentane is sourced from PubChem (CID 87535466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).