(E)-1-dibutoxyphosphoryl-2-methyldec-1-ene

C19H39O3P — CID 101255953

IUPAC(E)-1-dibutoxyphosphoryl-2-methyldec-1-ene
SMILESCCCCCCCC/C(C)=C/P(=O)(OCCCC)OCCCC
InChIInChI=1S/C19H39O3P/c1-5-8-11-12-13-14-15-19(4)18-23(20,21-16-9-6-2)22-17-10-7-3/h18H,5-17H2,1-4H3/b19-18+
InChIKeySOJKFVIMTFWNJR-VHEBQXMUSA-N
MW346.49 g/mol
LogP7.47
Rot. Bonds16

About (E)-1-dibutoxyphosphoryl-2-methyldec-1-ene

(E)-1-dibutoxyphosphoryl-2-methyldec-1-ene (PubChem CID 101255953) has the molecular formula C19H39O3P and a molecular weight of 346.49 g/mol. Its IUPAC name is (E)-1-dibutoxyphosphoryl-2-methyldec-1-ene.

Molecular Properties

Compound Name(E)-1-dibutoxyphosphoryl-2-methyldec-1-ene
PubChem CID101255953
Molecular FormulaC19H39O3P
Molecular Weight346.49 g/mol
Exact Mass346.26
IUPAC Name(E)-1-dibutoxyphosphoryl-2-methyldec-1-ene
SMILESCCCCCCCC/C(C)=C/P(=O)(OCCCC)OCCCC
InChIInChI=1S/C19H39O3P/c1-5-8-11-12-13-14-15-19(4)18-23(20,21-16-9-6-2)22-17-10-7-3/h18H,5-17H2,1-4H3/b19-18+
InChIKeySOJKFVIMTFWNJR-VHEBQXMUSA-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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Frequently Asked Questions

What is the IUPAC name of (E)-1-dibutoxyphosphoryl-2-methyldec-1-ene?
The IUPAC name of (E)-1-dibutoxyphosphoryl-2-methyldec-1-ene (CID 101255953) is (E)-1-dibutoxyphosphoryl-2-methyldec-1-ene.
What is the SMILES notation for (E)-1-dibutoxyphosphoryl-2-methyldec-1-ene?
The canonical SMILES for (E)-1-dibutoxyphosphoryl-2-methyldec-1-ene is CCCCCCCC/C(C)=C/P(=O)(OCCCC)OCCCC.
What is the InChIKey of (E)-1-dibutoxyphosphoryl-2-methyldec-1-ene?
The InChIKey is SOJKFVIMTFWNJR-VHEBQXMUSA-N. The full InChI is InChI=1S/C19H39O3P/c1-5-8-11-12-13-14-15-19(4)18-23(20,21-16-9-6-2)22-17-10-7-3/h18H,5-17H2,1-4H3/b19-18+.
What are the key properties of (E)-1-dibutoxyphosphoryl-2-methyldec-1-ene?
(E)-1-dibutoxyphosphoryl-2-methyldec-1-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 (E)-1-dibutoxyphosphoryl-2-methyldec-1-ene is sourced from PubChem (CID 101255953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).