4-[2-(4-tert-butylcyclohexa-1,5-dien-1-yl)oxyethyl]morpholine

C16H27NO2 — CID 71198748

IUPAC4-[2-(4-tert-butylcyclohexa-1,5-dien-1-yl)oxyethyl]morpholine
SMILESCC(C)(C)C1C=CC(OCCN2CCOCC2)=CC1
InChIInChI=1S/C16H27NO2/c1-16(2,3)14-4-6-15(7-5-14)19-13-10-17-8-11-18-12-9-17/h4,6-7,14H,5,8-13H2,1-3H3
InChIKeyAPHYKHKGRUBCCX-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.84
Rot. Bonds4

About 4-[2-(4-tert-butylcyclohexa-1,5-dien-1-yl)oxyethyl]morpholine

4-[2-(4-tert-butylcyclohexa-1,5-dien-1-yl)oxyethyl]morpholine (PubChem CID 71198748) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-[2-(4-tert-butylcyclohexa-1,5-dien-1-yl)oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-(4-tert-butylcyclohexa-1,5-dien-1-yl)oxyethyl]morpholine
PubChem CID71198748
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name4-[2-(4-tert-butylcyclohexa-1,5-dien-1-yl)oxyethyl]morpholine
SMILESCC(C)(C)C1C=CC(OCCN2CCOCC2)=CC1
InChIInChI=1S/C16H27NO2/c1-16(2,3)14-4-6-15(7-5-14)19-13-10-17-8-11-18-12-9-17/h4,6-7,14H,5,8-13H2,1-3H3
InChIKeyAPHYKHKGRUBCCX-UHFFFAOYSA-N
XLogP2.84
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-tert-butylcyclohexa-1,5-dien-1-yl)oxyethyl]morpholine?
The IUPAC name of 4-[2-(4-tert-butylcyclohexa-1,5-dien-1-yl)oxyethyl]morpholine (CID 71198748) is 4-[2-(4-tert-butylcyclohexa-1,5-dien-1-yl)oxyethyl]morpholine.
What is the SMILES notation for 4-[2-(4-tert-butylcyclohexa-1,5-dien-1-yl)oxyethyl]morpholine?
The canonical SMILES for 4-[2-(4-tert-butylcyclohexa-1,5-dien-1-yl)oxyethyl]morpholine is CC(C)(C)C1C=CC(OCCN2CCOCC2)=CC1.
What is the InChIKey of 4-[2-(4-tert-butylcyclohexa-1,5-dien-1-yl)oxyethyl]morpholine?
The InChIKey is APHYKHKGRUBCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-16(2,3)14-4-6-15(7-5-14)19-13-10-17-8-11-18-12-9-17/h4,6-7,14H,5,8-13H2,1-3H3.
What are the key properties of 4-[2-(4-tert-butylcyclohexa-1,5-dien-1-yl)oxyethyl]morpholine?
4-[2-(4-tert-butylcyclohexa-1,5-dien-1-yl)oxyethyl]morpholine has a molecular weight of 265.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-tert-butylcyclohexa-1,5-dien-1-yl)oxyethyl]morpholine is sourced from PubChem (CID 71198748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).