2-(3-ethoxy-2-hydroxypropyl)-4-propylcyclohexan-1-one

C14H26O3 — CID 79417510

IUPAC2-(3-ethoxy-2-hydroxypropyl)-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CC(O)COCC)C1
InChIInChI=1S/C14H26O3/c1-3-5-11-6-7-14(16)12(8-11)9-13(15)10-17-4-2/h11-13,15H,3-10H2,1-2H3
InChIKeySGWDOMYZVXLOJW-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.56
Rot. Bonds7

About 2-(3-ethoxy-2-hydroxypropyl)-4-propylcyclohexan-1-one

2-(3-ethoxy-2-hydroxypropyl)-4-propylcyclohexan-1-one (PubChem CID 79417510) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(3-ethoxy-2-hydroxypropyl)-4-propylcyclohexan-1-one.

Molecular Properties

Compound Name2-(3-ethoxy-2-hydroxypropyl)-4-propylcyclohexan-1-one
PubChem CID79417510
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name2-(3-ethoxy-2-hydroxypropyl)-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CC(O)COCC)C1
InChIInChI=1S/C14H26O3/c1-3-5-11-6-7-14(16)12(8-11)9-13(15)10-17-4-2/h11-13,15H,3-10H2,1-2H3
InChIKeySGWDOMYZVXLOJW-UHFFFAOYSA-N
XLogP2.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-2-hydroxypropyl)-4-propylcyclohexan-1-one?
The IUPAC name of 2-(3-ethoxy-2-hydroxypropyl)-4-propylcyclohexan-1-one (CID 79417510) is 2-(3-ethoxy-2-hydroxypropyl)-4-propylcyclohexan-1-one.
What is the SMILES notation for 2-(3-ethoxy-2-hydroxypropyl)-4-propylcyclohexan-1-one?
The canonical SMILES for 2-(3-ethoxy-2-hydroxypropyl)-4-propylcyclohexan-1-one is CCCC1CCC(=O)C(CC(O)COCC)C1.
What is the InChIKey of 2-(3-ethoxy-2-hydroxypropyl)-4-propylcyclohexan-1-one?
The InChIKey is SGWDOMYZVXLOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-3-5-11-6-7-14(16)12(8-11)9-13(15)10-17-4-2/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 2-(3-ethoxy-2-hydroxypropyl)-4-propylcyclohexan-1-one?
2-(3-ethoxy-2-hydroxypropyl)-4-propylcyclohexan-1-one has a molecular weight of 242.36 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-2-hydroxypropyl)-4-propylcyclohexan-1-one is sourced from PubChem (CID 79417510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).