(Z)-2-dibutoxyphosphorylundec-2-ene

C19H39O3P — CID 134933869

IUPAC(Z)-2-dibutoxyphosphorylundec-2-ene
SMILESCCCCCCCC/C=C(/C)P(=O)(OCCCC)OCCCC
InChIInChI=1S/C19H39O3P/c1-5-8-11-12-13-14-15-16-19(4)23(20,21-17-9-6-2)22-18-10-7-3/h16H,5-15,17-18H2,1-4H3/b19-16-
InChIKeyYPXTVNURSXJJQU-MNDPQUGUSA-N
MW346.49 g/mol
LogP7.47
Rot. Bonds16

About (Z)-2-dibutoxyphosphorylundec-2-ene

(Z)-2-dibutoxyphosphorylundec-2-ene (PubChem CID 134933869) has the molecular formula C19H39O3P and a molecular weight of 346.49 g/mol. Its IUPAC name is (Z)-2-dibutoxyphosphorylundec-2-ene.

Molecular Properties

Compound Name(Z)-2-dibutoxyphosphorylundec-2-ene
PubChem CID134933869
Molecular FormulaC19H39O3P
Molecular Weight346.49 g/mol
Exact Mass346.26
IUPAC Name(Z)-2-dibutoxyphosphorylundec-2-ene
SMILESCCCCCCCC/C=C(/C)P(=O)(OCCCC)OCCCC
InChIInChI=1S/C19H39O3P/c1-5-8-11-12-13-14-15-16-19(4)23(20,21-17-9-6-2)22-18-10-7-3/h16H,5-15,17-18H2,1-4H3/b19-16-
InChIKeyYPXTVNURSXJJQU-MNDPQUGUSA-N
XLogP7.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.49
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Trioleyl Phosphate
CID 6436723
Oleyl ether phosphate (acid)
CID 6436357
Dioleyl phosphonate
CID 13652276
Phosphoric Acid Oleyl Ester
CID 6437191
Phosphonic acid, di-9-octadecen-1-yl ester
CID 6437966
9-Octadecen-1-ol, 1-(dihydrogen phosphate)
CID 82177
Di-9-octadecen-1-yl phosphonate
CID 6335850
(Z)-1-[ethoxy(fluoro)phosphoryl]octadec-8-ene
CID 44589212
Methyl 9-octadecenyl phosphite
CID 57357331
(E)-1-diethoxyphosphoryl-5-fluoropentadec-2-ene
CID 154714406
(Z)-1-dibutoxyphosphoryldec-1-ene
CID 134934042
Tris(octadec-9-enyl) phosphate
CID 94256

Frequently Asked Questions

What is the IUPAC name of (Z)-2-dibutoxyphosphorylundec-2-ene?
The IUPAC name of (Z)-2-dibutoxyphosphorylundec-2-ene (CID 134933869) is (Z)-2-dibutoxyphosphorylundec-2-ene.
What is the SMILES notation for (Z)-2-dibutoxyphosphorylundec-2-ene?
The canonical SMILES for (Z)-2-dibutoxyphosphorylundec-2-ene is CCCCCCCC/C=C(/C)P(=O)(OCCCC)OCCCC.
What is the InChIKey of (Z)-2-dibutoxyphosphorylundec-2-ene?
The InChIKey is YPXTVNURSXJJQU-MNDPQUGUSA-N. The full InChI is InChI=1S/C19H39O3P/c1-5-8-11-12-13-14-15-16-19(4)23(20,21-17-9-6-2)22-18-10-7-3/h16H,5-15,17-18H2,1-4H3/b19-16-.
What are the key properties of (Z)-2-dibutoxyphosphorylundec-2-ene?
(Z)-2-dibutoxyphosphorylundec-2-ene has a molecular weight of 346.49 g/mol, XLogP of 7.47, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-dibutoxyphosphorylundec-2-ene is sourced from PubChem (CID 134933869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).