11-dibutoxyphosphoryl-1-morpholin-4-ylundecan-1-one

C23H46NO5P — CID 54148316

IUPAC11-dibutoxyphosphoryl-1-morpholin-4-ylundecan-1-one
SMILESCCCCOP(=O)(CCCCCCCCCCC(=O)N1CCOCC1)OCCCC
InChIInChI=1S/C23H46NO5P/c1-3-5-18-28-30(26,29-19-6-4-2)22-14-12-10-8-7-9-11-13-15-23(25)24-16-20-27-21-17-24/h3-22H2,1-2H3
InChIKeyOFYDHJMWLSSMDU-UHFFFAOYSA-N
MW447.60 g/mol
LogP6.18
Rot. Bonds19

About 11-dibutoxyphosphoryl-1-morpholin-4-ylundecan-1-one

11-dibutoxyphosphoryl-1-morpholin-4-ylundecan-1-one (PubChem CID 54148316) has the molecular formula C23H46NO5P and a molecular weight of 447.60 g/mol. Its IUPAC name is 11-dibutoxyphosphoryl-1-morpholin-4-ylundecan-1-one.

Molecular Properties

Compound Name11-dibutoxyphosphoryl-1-morpholin-4-ylundecan-1-one
PubChem CID54148316
Molecular FormulaC23H46NO5P
Molecular Weight447.60 g/mol
Exact Mass447.31
IUPAC Name11-dibutoxyphosphoryl-1-morpholin-4-ylundecan-1-one
SMILESCCCCOP(=O)(CCCCCCCCCCC(=O)N1CCOCC1)OCCCC
InChIInChI=1S/C23H46NO5P/c1-3-5-18-28-30(26,29-19-6-4-2)22-14-12-10-8-7-9-11-13-15-23(25)24-16-20-27-21-17-24/h3-22H2,1-2H3
InChIKeyOFYDHJMWLSSMDU-UHFFFAOYSA-N
XLogP6.18
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.60
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-morpholin-4-ylheptan-1-one;hydrochloride
CID 175124060
ethane;1-morpholin-4-ylhexan-1-one
CID 143214280
1-morpholin-4-yl-2-(4-octanoylpiperazin-1-yl)ethane-1,2-dione
CID 55554342
1-didecoxyphosphoryltetradecane
CID 151616748
1-dioctoxyphosphoryldecane
CID 141369437
1-dihexoxyphosphoryltetradecane
CID 151638840
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
5-hydroxy-1-morpholin-4-ylpentan-1-one
CID 54520383
methyl 6-[16-(6-methoxy-6-oxohexanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-6-oxohexanoate
CID 4584644
1-[butoxy(butyl)phosphoryl]oxyheptane
CID 88847148
6-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)hexan-1-one
CID 4861310
5-amino-1-morpholin-4-ylpentan-1-one
CID 54404632

Frequently Asked Questions

What is the IUPAC name of 11-dibutoxyphosphoryl-1-morpholin-4-ylundecan-1-one?
The IUPAC name of 11-dibutoxyphosphoryl-1-morpholin-4-ylundecan-1-one (CID 54148316) is 11-dibutoxyphosphoryl-1-morpholin-4-ylundecan-1-one.
What is the SMILES notation for 11-dibutoxyphosphoryl-1-morpholin-4-ylundecan-1-one?
The canonical SMILES for 11-dibutoxyphosphoryl-1-morpholin-4-ylundecan-1-one is CCCCOP(=O)(CCCCCCCCCCC(=O)N1CCOCC1)OCCCC.
What is the InChIKey of 11-dibutoxyphosphoryl-1-morpholin-4-ylundecan-1-one?
The InChIKey is OFYDHJMWLSSMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46NO5P/c1-3-5-18-28-30(26,29-19-6-4-2)22-14-12-10-8-7-9-11-13-15-23(25)24-16-20-27-21-17-24/h3-22H2,1-2H3.
What are the key properties of 11-dibutoxyphosphoryl-1-morpholin-4-ylundecan-1-one?
11-dibutoxyphosphoryl-1-morpholin-4-ylundecan-1-one has a molecular weight of 447.60 g/mol, XLogP of 6.18, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-dibutoxyphosphoryl-1-morpholin-4-ylundecan-1-one is sourced from PubChem (CID 54148316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).