4-(7,7-dimethyloctyl)morpholine

C14H29NO — CID 20587837

IUPAC4-(7,7-dimethyloctyl)morpholine
SMILESCC(C)(C)CCCCCCN1CCOCC1
InChIInChI=1S/C14H29NO/c1-14(2,3)8-6-4-5-7-9-15-10-12-16-13-11-15/h4-13H2,1-3H3
InChIKeyDDXOLNINQCBPKQ-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.32
Rot. Bonds6

About 4-(7,7-dimethyloctyl)morpholine

4-(7,7-dimethyloctyl)morpholine (PubChem CID 20587837) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 4-(7,7-dimethyloctyl)morpholine.

Molecular Properties

Compound Name4-(7,7-dimethyloctyl)morpholine
PubChem CID20587837
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name4-(7,7-dimethyloctyl)morpholine
SMILESCC(C)(C)CCCCCCN1CCOCC1
InChIInChI=1S/C14H29NO/c1-14(2,3)8-6-4-5-7-9-15-10-12-16-13-11-15/h4-13H2,1-3H3
InChIKeyDDXOLNINQCBPKQ-UHFFFAOYSA-N
XLogP3.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(7,7-dimethyloctyl)morpholine?
The IUPAC name of 4-(7,7-dimethyloctyl)morpholine (CID 20587837) is 4-(7,7-dimethyloctyl)morpholine.
What is the SMILES notation for 4-(7,7-dimethyloctyl)morpholine?
The canonical SMILES for 4-(7,7-dimethyloctyl)morpholine is CC(C)(C)CCCCCCN1CCOCC1.
What is the InChIKey of 4-(7,7-dimethyloctyl)morpholine?
The InChIKey is DDXOLNINQCBPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-14(2,3)8-6-4-5-7-9-15-10-12-16-13-11-15/h4-13H2,1-3H3.
What are the key properties of 4-(7,7-dimethyloctyl)morpholine?
4-(7,7-dimethyloctyl)morpholine has a molecular weight of 227.39 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,7-dimethyloctyl)morpholine is sourced from PubChem (CID 20587837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).