(5R)-4-diethoxyphosphoryl-7,10-dioxadispiro[4.0.46.45]tetradec-3-ene

C16H27O5P — CID 134975350

IUPAC(5R)-4-diethoxyphosphoryl-7,10-dioxadispiro[4.0.46.45]tetradec-3-ene
SMILESCCOP(=O)(OCC)C1=CCC[C@@]12CCCCC21OCCO1
InChIInChI=1S/C16H27O5P/c1-3-20-22(17,21-4-2)14-8-7-10-15(14)9-5-6-11-16(15)18-12-13-19-16/h8H,3-7,9-13H2,1-2H3/t15-/m0/s1
InChIKeyHKASMYZZDLLVKD-HNNXBMFYSA-N
MW330.36 g/mol
LogP4.23
Rot. Bonds5

About (5R)-4-diethoxyphosphoryl-7,10-dioxadispiro[4.0.46.45]tetradec-3-ene

(5R)-4-diethoxyphosphoryl-7,10-dioxadispiro[4.0.46.45]tetradec-3-ene (PubChem CID 134975350) has the molecular formula C16H27O5P and a molecular weight of 330.36 g/mol. Its IUPAC name is (5R)-4-diethoxyphosphoryl-7,10-dioxadispiro[4.0.46.45]tetradec-3-ene.

Molecular Properties

Compound Name(5R)-4-diethoxyphosphoryl-7,10-dioxadispiro[4.0.46.45]tetradec-3-ene
PubChem CID134975350
Molecular FormulaC16H27O5P
Molecular Weight330.36 g/mol
Exact Mass330.16
IUPAC Name(5R)-4-diethoxyphosphoryl-7,10-dioxadispiro[4.0.46.45]tetradec-3-ene
SMILESCCOP(=O)(OCC)C1=CCC[C@@]12CCCCC21OCCO1
InChIInChI=1S/C16H27O5P/c1-3-20-22(17,21-4-2)14-8-7-10-15(14)9-5-6-11-16(15)18-12-13-19-16/h8H,3-7,9-13H2,1-2H3/t15-/m0/s1
InChIKeyHKASMYZZDLLVKD-HNNXBMFYSA-N
XLogP4.23
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-4-diethoxyphosphoryl-7,10-dioxadispiro[4.0.46.45]tetradec-3-ene?
The IUPAC name of (5R)-4-diethoxyphosphoryl-7,10-dioxadispiro[4.0.46.45]tetradec-3-ene (CID 134975350) is (5R)-4-diethoxyphosphoryl-7,10-dioxadispiro[4.0.46.45]tetradec-3-ene.
What is the SMILES notation for (5R)-4-diethoxyphosphoryl-7,10-dioxadispiro[4.0.46.45]tetradec-3-ene?
The canonical SMILES for (5R)-4-diethoxyphosphoryl-7,10-dioxadispiro[4.0.46.45]tetradec-3-ene is CCOP(=O)(OCC)C1=CCC[C@@]12CCCCC21OCCO1.
What is the InChIKey of (5R)-4-diethoxyphosphoryl-7,10-dioxadispiro[4.0.46.45]tetradec-3-ene?
The InChIKey is HKASMYZZDLLVKD-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H27O5P/c1-3-20-22(17,21-4-2)14-8-7-10-15(14)9-5-6-11-16(15)18-12-13-19-16/h8H,3-7,9-13H2,1-2H3/t15-/m0/s1.
What are the key properties of (5R)-4-diethoxyphosphoryl-7,10-dioxadispiro[4.0.46.45]tetradec-3-ene?
(5R)-4-diethoxyphosphoryl-7,10-dioxadispiro[4.0.46.45]tetradec-3-ene has a molecular weight of 330.36 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-diethoxyphosphoryl-7,10-dioxadispiro[4.0.46.45]tetradec-3-ene is sourced from PubChem (CID 134975350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).