(2R,3R,4R)-2-ethoxy-3,4,5-trimethylhexane

C11H24O — CID 142521476

IUPAC(2R,3R,4R)-2-ethoxy-3,4,5-trimethylhexane
SMILESCCO[C@H](C)[C@H](C)[C@H](C)C(C)C
InChIInChI=1S/C11H24O/c1-7-12-11(6)10(5)9(4)8(2)3/h8-11H,7H2,1-6H3/t9-,10-,11-/m1/s1
InChIKeyNHRAWGXPGRALJH-GMTAPVOTSA-N
MW172.31 g/mol
LogP3.34
Rot. Bonds5

About (2R,3R,4R)-2-ethoxy-3,4,5-trimethylhexane

(2R,3R,4R)-2-ethoxy-3,4,5-trimethylhexane (PubChem CID 142521476) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is (2R,3R,4R)-2-ethoxy-3,4,5-trimethylhexane.

Molecular Properties

Compound Name(2R,3R,4R)-2-ethoxy-3,4,5-trimethylhexane
PubChem CID142521476
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name(2R,3R,4R)-2-ethoxy-3,4,5-trimethylhexane
SMILESCCO[C@H](C)[C@H](C)[C@H](C)C(C)C
InChIInChI=1S/C11H24O/c1-7-12-11(6)10(5)9(4)8(2)3/h8-11H,7H2,1-6H3/t9-,10-,11-/m1/s1
InChIKeyNHRAWGXPGRALJH-GMTAPVOTSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2-ethoxy-3,4,5-trimethylhexane?
The IUPAC name of (2R,3R,4R)-2-ethoxy-3,4,5-trimethylhexane (CID 142521476) is (2R,3R,4R)-2-ethoxy-3,4,5-trimethylhexane.
What is the SMILES notation for (2R,3R,4R)-2-ethoxy-3,4,5-trimethylhexane?
The canonical SMILES for (2R,3R,4R)-2-ethoxy-3,4,5-trimethylhexane is CCO[C@H](C)[C@H](C)[C@H](C)C(C)C.
What is the InChIKey of (2R,3R,4R)-2-ethoxy-3,4,5-trimethylhexane?
The InChIKey is NHRAWGXPGRALJH-GMTAPVOTSA-N. The full InChI is InChI=1S/C11H24O/c1-7-12-11(6)10(5)9(4)8(2)3/h8-11H,7H2,1-6H3/t9-,10-,11-/m1/s1.
What are the key properties of (2R,3R,4R)-2-ethoxy-3,4,5-trimethylhexane?
(2R,3R,4R)-2-ethoxy-3,4,5-trimethylhexane has a molecular weight of 172.31 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2-ethoxy-3,4,5-trimethylhexane is sourced from PubChem (CID 142521476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).