8-ethoxy-2,2,3,4,4,5,5,6,6-nonamethylnonane

C20H42O — CID 123137487

IUPAC8-ethoxy-2,2,3,4,4,5,5,6,6-nonamethylnonane
SMILESCCOC(C)CC(C)(C)C(C)(C)C(C)(C)C(C)C(C)(C)C
InChIInChI=1S/C20H42O/c1-13-21-15(2)14-18(7,8)20(11,12)19(9,10)16(3)17(4,5)6/h15-16H,13-14H2,1-12H3
InChIKeySSDQNUJIJOWYAK-UHFFFAOYSA-N
MW298.56 g/mol
LogP6.56
Rot. Bonds7

About 8-ethoxy-2,2,3,4,4,5,5,6,6-nonamethylnonane

8-ethoxy-2,2,3,4,4,5,5,6,6-nonamethylnonane (PubChem CID 123137487) has the molecular formula C20H42O and a molecular weight of 298.56 g/mol. Its IUPAC name is 8-ethoxy-2,2,3,4,4,5,5,6,6-nonamethylnonane.

Molecular Properties

Compound Name8-ethoxy-2,2,3,4,4,5,5,6,6-nonamethylnonane
PubChem CID123137487
Molecular FormulaC20H42O
Molecular Weight298.56 g/mol
Exact Mass298.32
IUPAC Name8-ethoxy-2,2,3,4,4,5,5,6,6-nonamethylnonane
SMILESCCOC(C)CC(C)(C)C(C)(C)C(C)(C)C(C)C(C)(C)C
InChIInChI=1S/C20H42O/c1-13-21-15(2)14-18(7,8)20(11,12)19(9,10)16(3)17(4,5)6/h15-16H,13-14H2,1-12H3
InChIKeySSDQNUJIJOWYAK-UHFFFAOYSA-N
XLogP6.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.56
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-2,2,3,4,4,5,5,6,6-nonamethylnonane?
The IUPAC name of 8-ethoxy-2,2,3,4,4,5,5,6,6-nonamethylnonane (CID 123137487) is 8-ethoxy-2,2,3,4,4,5,5,6,6-nonamethylnonane.
What is the SMILES notation for 8-ethoxy-2,2,3,4,4,5,5,6,6-nonamethylnonane?
The canonical SMILES for 8-ethoxy-2,2,3,4,4,5,5,6,6-nonamethylnonane is CCOC(C)CC(C)(C)C(C)(C)C(C)(C)C(C)C(C)(C)C.
What is the InChIKey of 8-ethoxy-2,2,3,4,4,5,5,6,6-nonamethylnonane?
The InChIKey is SSDQNUJIJOWYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O/c1-13-21-15(2)14-18(7,8)20(11,12)19(9,10)16(3)17(4,5)6/h15-16H,13-14H2,1-12H3.
What are the key properties of 8-ethoxy-2,2,3,4,4,5,5,6,6-nonamethylnonane?
8-ethoxy-2,2,3,4,4,5,5,6,6-nonamethylnonane has a molecular weight of 298.56 g/mol, XLogP of 6.56, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-2,2,3,4,4,5,5,6,6-nonamethylnonane is sourced from PubChem (CID 123137487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).