11-dibutoxyphosphorylundec-1-ene

C19H39O3P — CID 23108314

IUPAC11-dibutoxyphosphorylundec-1-ene
SMILESC=CCCCCCCCCCP(=O)(OCCCC)OCCCC
InChIInChI=1S/C19H39O3P/c1-4-7-10-11-12-13-14-15-16-19-23(20,21-17-8-5-2)22-18-9-6-3/h4H,1,5-19H2,2-3H3
InChIKeyDPZOXZQYZDYUJG-UHFFFAOYSA-N
MW346.49 g/mol
LogP7.12
Rot. Bonds18

About 11-dibutoxyphosphorylundec-1-ene

11-dibutoxyphosphorylundec-1-ene (PubChem CID 23108314) has the molecular formula C19H39O3P and a molecular weight of 346.49 g/mol. Its IUPAC name is 11-dibutoxyphosphorylundec-1-ene.

Molecular Properties

Compound Name11-dibutoxyphosphorylundec-1-ene
PubChem CID23108314
Molecular FormulaC19H39O3P
Molecular Weight346.49 g/mol
Exact Mass346.26
IUPAC Name11-dibutoxyphosphorylundec-1-ene
SMILESC=CCCCCCCCCCP(=O)(OCCCC)OCCCC
InChIInChI=1S/C19H39O3P/c1-4-7-10-11-12-13-14-15-16-19-23(20,21-17-8-5-2)22-18-9-6-3/h4H,1,5-19H2,2-3H3
InChIKeyDPZOXZQYZDYUJG-UHFFFAOYSA-N
XLogP7.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.49
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-dibutoxyphosphoryloctacosane
CID 141204672
1-diheptoxyphosphoryloctadecane
CID 153322672
1-didecoxyphosphoryltetradecane
CID 151616748
1-dioctoxyphosphoryldecane
CID 141369437
1-dihexoxyphosphoryltetradecane
CID 151638840
icosyl bis(tridec-12-enyl) phosphate
CID 156683093
1-[butoxy(butyl)phosphoryl]oxyheptane
CID 88847148
bis(but-3-enyl) butyl phosphate;dec-9-enyl bis(undec-10-enyl) phosphate;tris(hex-5-enyl) phosphate;tris(prop-2-enyl) phosphate
CID 159854943
1-[butyl(hexoxy)phosphoryl]oxyoctadecane
CID 91716589
1-[butyl(pentoxy)phosphoryl]oxypentadecane
CID 91716553
1-[butyl(hexoxy)phosphoryl]oxyhexadecane
CID 91716578
7-[butoxy(propoxy)phosphoryl]heptylphosphane
CID 170308763

Frequently Asked Questions

What is the IUPAC name of 11-dibutoxyphosphorylundec-1-ene?
The IUPAC name of 11-dibutoxyphosphorylundec-1-ene (CID 23108314) is 11-dibutoxyphosphorylundec-1-ene.
What is the SMILES notation for 11-dibutoxyphosphorylundec-1-ene?
The canonical SMILES for 11-dibutoxyphosphorylundec-1-ene is C=CCCCCCCCCCP(=O)(OCCCC)OCCCC.
What is the InChIKey of 11-dibutoxyphosphorylundec-1-ene?
The InChIKey is DPZOXZQYZDYUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39O3P/c1-4-7-10-11-12-13-14-15-16-19-23(20,21-17-8-5-2)22-18-9-6-3/h4H,1,5-19H2,2-3H3.
What are the key properties of 11-dibutoxyphosphorylundec-1-ene?
11-dibutoxyphosphorylundec-1-ene has a molecular weight of 346.49 g/mol, XLogP of 7.12, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-dibutoxyphosphorylundec-1-ene is sourced from PubChem (CID 23108314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).