(2R,6S)-4-[3-(4-tert-butylcyclohex-3-en-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine

C20H37NO — CID 13088571

IUPAC(2R,6S)-4-[3-(4-tert-butylcyclohex-3-en-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine
SMILESCC(CC1CC=C(C(C)(C)C)CC1)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C20H37NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h9,15-18H,7-8,10-14H2,1-6H3/t15?,16-,17+,18?
InChIKeyBJZPZUGZKXVOKF-ZTOOSOLZSA-N
MW307.52 g/mol
LogP4.89
Rot. Bonds4

About (2R,6S)-4-[3-(4-tert-butylcyclohex-3-en-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine

(2R,6S)-4-[3-(4-tert-butylcyclohex-3-en-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine (PubChem CID 13088571) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is (2R,6S)-4-[3-(4-tert-butylcyclohex-3-en-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-[3-(4-tert-butylcyclohex-3-en-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine
PubChem CID13088571
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC Name(2R,6S)-4-[3-(4-tert-butylcyclohex-3-en-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine
SMILESCC(CC1CC=C(C(C)(C)C)CC1)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C20H37NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h9,15-18H,7-8,10-14H2,1-6H3/t15?,16-,17+,18?
InChIKeyBJZPZUGZKXVOKF-ZTOOSOLZSA-N
XLogP4.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.52
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[3-(4-tert-butylcyclohex-3-en-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-[3-(4-tert-butylcyclohex-3-en-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine (CID 13088571) is (2R,6S)-4-[3-(4-tert-butylcyclohex-3-en-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-[3-(4-tert-butylcyclohex-3-en-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-[3-(4-tert-butylcyclohex-3-en-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine is CC(CC1CC=C(C(C)(C)C)CC1)CN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of (2R,6S)-4-[3-(4-tert-butylcyclohex-3-en-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine?
The InChIKey is BJZPZUGZKXVOKF-ZTOOSOLZSA-N. The full InChI is InChI=1S/C20H37NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h9,15-18H,7-8,10-14H2,1-6H3/t15?,16-,17+,18?.
What are the key properties of (2R,6S)-4-[3-(4-tert-butylcyclohex-3-en-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine?
(2R,6S)-4-[3-(4-tert-butylcyclohex-3-en-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine has a molecular weight of 307.52 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[3-(4-tert-butylcyclohex-3-en-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 13088571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).