(5R)-5-[(1R)-1-methoxyethyl]undec-1-en-4-one

C14H26O2 — CID 10775643

IUPAC(5R)-5-[(1R)-1-methoxyethyl]undec-1-en-4-one
SMILESC=CCC(=O)[C@H](CCCCCC)[C@@H](C)OC
InChIInChI=1S/C14H26O2/c1-5-7-8-9-11-13(12(3)16-4)14(15)10-6-2/h6,12-13H,2,5,7-11H2,1,3-4H3/t12-,13-/m1/s1
InChIKeyXDJKMEQLHIEUJF-CHWSQXEVSA-N
MW226.36 g/mol
LogP3.75
Rot. Bonds10

About (5R)-5-[(1R)-1-methoxyethyl]undec-1-en-4-one

(5R)-5-[(1R)-1-methoxyethyl]undec-1-en-4-one (PubChem CID 10775643) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (5R)-5-[(1R)-1-methoxyethyl]undec-1-en-4-one.

Molecular Properties

Compound Name(5R)-5-[(1R)-1-methoxyethyl]undec-1-en-4-one
PubChem CID10775643
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(5R)-5-[(1R)-1-methoxyethyl]undec-1-en-4-one
SMILESC=CCC(=O)[C@H](CCCCCC)[C@@H](C)OC
InChIInChI=1S/C14H26O2/c1-5-7-8-9-11-13(12(3)16-4)14(15)10-6-2/h6,12-13H,2,5,7-11H2,1,3-4H3/t12-,13-/m1/s1
InChIKeyXDJKMEQLHIEUJF-CHWSQXEVSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1R)-1-methoxyethyl]undec-1-en-4-one?
The IUPAC name of (5R)-5-[(1R)-1-methoxyethyl]undec-1-en-4-one (CID 10775643) is (5R)-5-[(1R)-1-methoxyethyl]undec-1-en-4-one.
What is the SMILES notation for (5R)-5-[(1R)-1-methoxyethyl]undec-1-en-4-one?
The canonical SMILES for (5R)-5-[(1R)-1-methoxyethyl]undec-1-en-4-one is C=CCC(=O)[C@H](CCCCCC)[C@@H](C)OC.
What is the InChIKey of (5R)-5-[(1R)-1-methoxyethyl]undec-1-en-4-one?
The InChIKey is XDJKMEQLHIEUJF-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H26O2/c1-5-7-8-9-11-13(12(3)16-4)14(15)10-6-2/h6,12-13H,2,5,7-11H2,1,3-4H3/t12-,13-/m1/s1.
What are the key properties of (5R)-5-[(1R)-1-methoxyethyl]undec-1-en-4-one?
(5R)-5-[(1R)-1-methoxyethyl]undec-1-en-4-one has a molecular weight of 226.36 g/mol, XLogP of 3.75, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1R)-1-methoxyethyl]undec-1-en-4-one is sourced from PubChem (CID 10775643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).