4-[3-(4-tert-butylcyclohexa-2,4-dien-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine

C20H35NO — CID 78037852

IUPAC4-[3-(4-tert-butylcyclohexa-2,4-dien-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine
SMILESCC(CC1C=CC(C(C)(C)C)=CC1)CN1CC(C)OC(C)C1
InChIInChI=1S/C20H35NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7,9-10,15-18H,8,11-14H2,1-6H3
InChIKeyFIVHMAWBEKGGRE-UHFFFAOYSA-N
MW305.51 g/mol
LogP4.67
Rot. Bonds4

About 4-[3-(4-tert-butylcyclohexa-2,4-dien-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine

4-[3-(4-tert-butylcyclohexa-2,4-dien-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine (PubChem CID 78037852) has the molecular formula C20H35NO and a molecular weight of 305.51 g/mol. Its IUPAC name is 4-[3-(4-tert-butylcyclohexa-2,4-dien-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[3-(4-tert-butylcyclohexa-2,4-dien-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine
PubChem CID78037852
Molecular FormulaC20H35NO
Molecular Weight305.51 g/mol
Exact Mass305.27
IUPAC Name4-[3-(4-tert-butylcyclohexa-2,4-dien-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine
SMILESCC(CC1C=CC(C(C)(C)C)=CC1)CN1CC(C)OC(C)C1
InChIInChI=1S/C20H35NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7,9-10,15-18H,8,11-14H2,1-6H3
InChIKeyFIVHMAWBEKGGRE-UHFFFAOYSA-N
XLogP4.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.51
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-tert-butylcyclohexa-2,4-dien-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[3-(4-tert-butylcyclohexa-2,4-dien-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine (CID 78037852) is 4-[3-(4-tert-butylcyclohexa-2,4-dien-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[3-(4-tert-butylcyclohexa-2,4-dien-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[3-(4-tert-butylcyclohexa-2,4-dien-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine is CC(CC1C=CC(C(C)(C)C)=CC1)CN1CC(C)OC(C)C1.
What is the InChIKey of 4-[3-(4-tert-butylcyclohexa-2,4-dien-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine?
The InChIKey is FIVHMAWBEKGGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7,9-10,15-18H,8,11-14H2,1-6H3.
What are the key properties of 4-[3-(4-tert-butylcyclohexa-2,4-dien-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine?
4-[3-(4-tert-butylcyclohexa-2,4-dien-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine has a molecular weight of 305.51 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-tert-butylcyclohexa-2,4-dien-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 78037852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).