2-octa-5,7-dien-2-ylmorpholine

C12H21NO — CID 173438470

IUPAC2-octa-5,7-dien-2-ylmorpholine
SMILESC=CC=CCCC(C)C1CNCCO1
InChIInChI=1S/C12H21NO/c1-3-4-5-6-7-11(2)12-10-13-8-9-14-12/h3-5,11-13H,1,6-10H2,2H3
InChIKeyGOTVFPAFILFUJI-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.13
Rot. Bonds5

About 2-octa-5,7-dien-2-ylmorpholine

2-octa-5,7-dien-2-ylmorpholine (PubChem CID 173438470) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-octa-5,7-dien-2-ylmorpholine.

Molecular Properties

Compound Name2-octa-5,7-dien-2-ylmorpholine
PubChem CID173438470
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-octa-5,7-dien-2-ylmorpholine
SMILESC=CC=CCCC(C)C1CNCCO1
InChIInChI=1S/C12H21NO/c1-3-4-5-6-7-11(2)12-10-13-8-9-14-12/h3-5,11-13H,1,6-10H2,2H3
InChIKeyGOTVFPAFILFUJI-UHFFFAOYSA-N
XLogP2.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(Cyclohex-3-en-1-yl)methyl](2-methoxyethyl)amine
CID 43180514
(2S,6S)-2-methyl-6-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]morpholine
CID 68213106
(2S,6S)-2-(3-fluorocyclohexa-2,4-dien-1-yl)-6-methylmorpholine
CID 68213107
(2S,5S)-2-(3-fluorocyclohexa-2,4-dien-1-yl)-5-methylmorpholine
CID 68213115
(2S,5S)-2-(4-fluorocyclohexa-2,4-dien-1-yl)-5-methylmorpholine
CID 68213123
(2S,6R)-2-(3-fluorocyclohexa-2,4-dien-1-yl)-6-methylmorpholine
CID 68213127
(2R,6S)-2-methyl-6-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]morpholine
CID 68213129
(5S)-2-[(1S)-4-fluorocyclohexa-2,4-dien-1-yl]-5-methylmorpholine
CID 68213149
(2S,5R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)-5-methylmorpholine
CID 68213150
(2S,5R)-2-(3-fluorocyclohexa-2,4-dien-1-yl)-5-methylmorpholine
CID 68213227
2-[(4-Fluorocyclohexa-2,4-dien-1-yl)methyl]-5-methylmorpholine
CID 70875326
2-[(E)-2-ethenyl-1,1-difluoro-5-methyl-4-methylidenehex-2-enyl]morpholine
CID 164919318

Frequently Asked Questions

What is the IUPAC name of 2-octa-5,7-dien-2-ylmorpholine?
The IUPAC name of 2-octa-5,7-dien-2-ylmorpholine (CID 173438470) is 2-octa-5,7-dien-2-ylmorpholine.
What is the SMILES notation for 2-octa-5,7-dien-2-ylmorpholine?
The canonical SMILES for 2-octa-5,7-dien-2-ylmorpholine is C=CC=CCCC(C)C1CNCCO1.
What is the InChIKey of 2-octa-5,7-dien-2-ylmorpholine?
The InChIKey is GOTVFPAFILFUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-4-5-6-7-11(2)12-10-13-8-9-14-12/h3-5,11-13H,1,6-10H2,2H3.
What are the key properties of 2-octa-5,7-dien-2-ylmorpholine?
2-octa-5,7-dien-2-ylmorpholine has a molecular weight of 195.31 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octa-5,7-dien-2-ylmorpholine is sourced from PubChem (CID 173438470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).