3-ethoxy-7-methyl-5-propan-2-ylnonane

C15H32O — CID 178133632

IUPAC3-ethoxy-7-methyl-5-propan-2-ylnonane
SMILESCCOC(CC)CC(CC(C)CC)C(C)C
InChIInChI=1S/C15H32O/c1-7-13(6)10-14(12(4)5)11-15(8-2)16-9-3/h12-15H,7-11H2,1-6H3
InChIKeyTWPYNKWAIYPSET-UHFFFAOYSA-N
MW228.42 g/mol
LogP4.90
Rot. Bonds9

About 3-ethoxy-7-methyl-5-propan-2-ylnonane

3-ethoxy-7-methyl-5-propan-2-ylnonane (PubChem CID 178133632) has the molecular formula C15H32O and a molecular weight of 228.42 g/mol. Its IUPAC name is 3-ethoxy-7-methyl-5-propan-2-ylnonane.

Molecular Properties

Compound Name3-ethoxy-7-methyl-5-propan-2-ylnonane
PubChem CID178133632
Molecular FormulaC15H32O
Molecular Weight228.42 g/mol
Exact Mass228.25
IUPAC Name3-ethoxy-7-methyl-5-propan-2-ylnonane
SMILESCCOC(CC)CC(CC(C)CC)C(C)C
InChIInChI=1S/C15H32O/c1-7-13(6)10-14(12(4)5)11-15(8-2)16-9-3/h12-15H,7-11H2,1-6H3
InChIKeyTWPYNKWAIYPSET-UHFFFAOYSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-7-methyl-5-propan-2-ylnonane?
The IUPAC name of 3-ethoxy-7-methyl-5-propan-2-ylnonane (CID 178133632) is 3-ethoxy-7-methyl-5-propan-2-ylnonane.
What is the SMILES notation for 3-ethoxy-7-methyl-5-propan-2-ylnonane?
The canonical SMILES for 3-ethoxy-7-methyl-5-propan-2-ylnonane is CCOC(CC)CC(CC(C)CC)C(C)C.
What is the InChIKey of 3-ethoxy-7-methyl-5-propan-2-ylnonane?
The InChIKey is TWPYNKWAIYPSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O/c1-7-13(6)10-14(12(4)5)11-15(8-2)16-9-3/h12-15H,7-11H2,1-6H3.
What are the key properties of 3-ethoxy-7-methyl-5-propan-2-ylnonane?
3-ethoxy-7-methyl-5-propan-2-ylnonane has a molecular weight of 228.42 g/mol, XLogP of 4.90, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-7-methyl-5-propan-2-ylnonane is sourced from PubChem (CID 178133632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).