4-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]morpholine

C14H23NO2 — CID 164736823

IUPAC4-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]morpholine
SMILESC[C@@H]1C=C(OCCN2CCOCC2)C=C[C@@H]1C
InChIInChI=1S/C14H23NO2/c1-12-3-4-14(11-13(12)2)17-10-7-15-5-8-16-9-6-15/h3-4,11-13H,5-10H2,1-2H3/t12-,13+/m0/s1
InChIKeyJECCFRKUADYFKY-QWHCGFSZSA-N
MW237.34 g/mol
LogP2.06
Rot. Bonds4

About 4-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]morpholine

4-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]morpholine (PubChem CID 164736823) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]morpholine
PubChem CID164736823
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]morpholine
SMILESC[C@@H]1C=C(OCCN2CCOCC2)C=C[C@@H]1C
InChIInChI=1S/C14H23NO2/c1-12-3-4-14(11-13(12)2)17-10-7-15-5-8-16-9-6-15/h3-4,11-13H,5-10H2,1-2H3/t12-,13+/m0/s1
InChIKeyJECCFRKUADYFKY-QWHCGFSZSA-N
XLogP2.06
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]morpholine?
The IUPAC name of 4-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]morpholine (CID 164736823) is 4-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]morpholine.
What is the SMILES notation for 4-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]morpholine?
The canonical SMILES for 4-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]morpholine is C[C@@H]1C=C(OCCN2CCOCC2)C=C[C@@H]1C.
What is the InChIKey of 4-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]morpholine?
The InChIKey is JECCFRKUADYFKY-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H23NO2/c1-12-3-4-14(11-13(12)2)17-10-7-15-5-8-16-9-6-15/h3-4,11-13H,5-10H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of 4-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]morpholine?
4-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]morpholine has a molecular weight of 237.34 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]morpholine is sourced from PubChem (CID 164736823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).