(Z)-1-dibutoxyphosphoryldec-1-ene

C18H37O3P — CID 134934042

IUPAC(Z)-1-dibutoxyphosphoryldec-1-ene
SMILESCCCCCCCC/C=C\P(=O)(OCCCC)OCCCC
InChIInChI=1S/C18H37O3P/c1-4-7-10-11-12-13-14-15-18-22(19,20-16-8-5-2)21-17-9-6-3/h15,18H,4-14,16-17H2,1-3H3/b18-15-
InChIKeyFKSNRPLEJRMDDS-SDXDJHTJSA-N
MW332.47 g/mol
LogP7.08
Rot. Bonds16

About (Z)-1-dibutoxyphosphoryldec-1-ene

(Z)-1-dibutoxyphosphoryldec-1-ene (PubChem CID 134934042) has the molecular formula C18H37O3P and a molecular weight of 332.47 g/mol. Its IUPAC name is (Z)-1-dibutoxyphosphoryldec-1-ene.

Molecular Properties

Compound Name(Z)-1-dibutoxyphosphoryldec-1-ene
PubChem CID134934042
Molecular FormulaC18H37O3P
Molecular Weight332.47 g/mol
Exact Mass332.25
IUPAC Name(Z)-1-dibutoxyphosphoryldec-1-ene
SMILESCCCCCCCC/C=C\P(=O)(OCCCC)OCCCC
InChIInChI=1S/C18H37O3P/c1-4-7-10-11-12-13-14-15-18-22(19,20-16-8-5-2)21-17-9-6-3/h15,18H,4-14,16-17H2,1-3H3/b18-15-
InChIKeyFKSNRPLEJRMDDS-SDXDJHTJSA-N
XLogP7.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.47
LogP ≤ 57.08
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 (Z)-1-dibutoxyphosphoryldec-1-ene?
The IUPAC name of (Z)-1-dibutoxyphosphoryldec-1-ene (CID 134934042) is (Z)-1-dibutoxyphosphoryldec-1-ene.
What is the SMILES notation for (Z)-1-dibutoxyphosphoryldec-1-ene?
The canonical SMILES for (Z)-1-dibutoxyphosphoryldec-1-ene is CCCCCCCC/C=C\P(=O)(OCCCC)OCCCC.
What is the InChIKey of (Z)-1-dibutoxyphosphoryldec-1-ene?
The InChIKey is FKSNRPLEJRMDDS-SDXDJHTJSA-N. The full InChI is InChI=1S/C18H37O3P/c1-4-7-10-11-12-13-14-15-18-22(19,20-16-8-5-2)21-17-9-6-3/h15,18H,4-14,16-17H2,1-3H3/b18-15-.
What are the key properties of (Z)-1-dibutoxyphosphoryldec-1-ene?
(Z)-1-dibutoxyphosphoryldec-1-ene has a molecular weight of 332.47 g/mol, XLogP of 7.08, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-dibutoxyphosphoryldec-1-ene is sourced from PubChem (CID 134934042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).