18-morpholin-4-yloctadecan-7-ol

C22H45NO2 — CID 154324774

IUPAC18-morpholin-4-yloctadecan-7-ol
SMILESCCCCCCC(O)CCCCCCCCCCCN1CCOCC1
InChIInChI=1S/C22H45NO2/c1-2-3-4-12-15-22(24)16-13-10-8-6-5-7-9-11-14-17-23-18-20-25-21-19-23/h22,24H,2-21H2,1H3
InChIKeyCTIBXADEGIHOPJ-UHFFFAOYSA-N
MW355.61 g/mol
LogP5.55
Rot. Bonds17

About 18-morpholin-4-yloctadecan-7-ol

18-morpholin-4-yloctadecan-7-ol (PubChem CID 154324774) has the molecular formula C22H45NO2 and a molecular weight of 355.61 g/mol. Its IUPAC name is 18-morpholin-4-yloctadecan-7-ol.

Molecular Properties

Compound Name18-morpholin-4-yloctadecan-7-ol
PubChem CID154324774
Molecular FormulaC22H45NO2
Molecular Weight355.61 g/mol
Exact Mass355.35
IUPAC Name18-morpholin-4-yloctadecan-7-ol
SMILESCCCCCCC(O)CCCCCCCCCCCN1CCOCC1
InChIInChI=1S/C22H45NO2/c1-2-3-4-12-15-22(24)16-13-10-8-6-5-7-9-11-14-17-23-18-20-25-21-19-23/h22,24H,2-21H2,1H3
InChIKeyCTIBXADEGIHOPJ-UHFFFAOYSA-N
XLogP5.55
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.61
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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4-(4-methylnonyl)morpholine
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4-hexyl-1,4-oxazepane
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(5S)-1-(4-ethylpiperazin-1-yl)nonan-5-ol
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(4S)-9-(4-methylpiperazin-1-yl)nonan-4-ol
CID 144712129
butane;4-butylmorpholine
CID 177152600
(3R)-7-morpholin-4-yl-3-propylheptan-1-ol
CID 118890062
4-(5-methoxyoctyl)morpholine
CID 144712043
3-(11-morpholin-4-yl-2-sulfanylideneundecyl)-4-pentylhexane-2,5-dione
CID 88800439
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347

Frequently Asked Questions

What is the IUPAC name of 18-morpholin-4-yloctadecan-7-ol?
The IUPAC name of 18-morpholin-4-yloctadecan-7-ol (CID 154324774) is 18-morpholin-4-yloctadecan-7-ol.
What is the SMILES notation for 18-morpholin-4-yloctadecan-7-ol?
The canonical SMILES for 18-morpholin-4-yloctadecan-7-ol is CCCCCCC(O)CCCCCCCCCCCN1CCOCC1.
What is the InChIKey of 18-morpholin-4-yloctadecan-7-ol?
The InChIKey is CTIBXADEGIHOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45NO2/c1-2-3-4-12-15-22(24)16-13-10-8-6-5-7-9-11-14-17-23-18-20-25-21-19-23/h22,24H,2-21H2,1H3.
What are the key properties of 18-morpholin-4-yloctadecan-7-ol?
18-morpholin-4-yloctadecan-7-ol has a molecular weight of 355.61 g/mol, XLogP of 5.55, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 18-morpholin-4-yloctadecan-7-ol is sourced from PubChem (CID 154324774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).