[7-oxabicyclo[4.1.0]heptan-3-yl(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)methylidene]phosphane

C14H21O3P — CID 20764356

IUPAC[7-oxabicyclo[4.1.0]heptan-3-yl(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)methylidene]phosphane
SMILES[H]/P=C(\OCC1CCC2OC2C1)C1CCC2OC2C1
InChIInChI=1S/C14H21O3P/c18-14(9-2-4-11-13(6-9)17-11)15-7-8-1-3-10-12(5-8)16-10/h8-13,18H,1-7H2
InChIKeyPDIGIFLYWKJJNP-UHFFFAOYSA-N
MW268.29 g/mol
LogP2.41
Rot. Bonds4

About [7-oxabicyclo[4.1.0]heptan-3-yl(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)methylidene]phosphane

[7-oxabicyclo[4.1.0]heptan-3-yl(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)methylidene]phosphane (PubChem CID 20764356) has the molecular formula C14H21O3P and a molecular weight of 268.29 g/mol. Its IUPAC name is [7-oxabicyclo[4.1.0]heptan-3-yl(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)methylidene]phosphane.

Molecular Properties

Compound Name[7-oxabicyclo[4.1.0]heptan-3-yl(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)methylidene]phosphane
PubChem CID20764356
Molecular FormulaC14H21O3P
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name[7-oxabicyclo[4.1.0]heptan-3-yl(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)methylidene]phosphane
SMILES[H]/P=C(\OCC1CCC2OC2C1)C1CCC2OC2C1
InChIInChI=1S/C14H21O3P/c18-14(9-2-4-11-13(6-9)17-11)15-7-8-1-3-10-12(5-8)16-10/h8-13,18H,1-7H2
InChIKeyPDIGIFLYWKJJNP-UHFFFAOYSA-N
XLogP2.41
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [7-oxabicyclo[4.1.0]heptan-3-yl(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)methylidene]phosphane?
The IUPAC name of [7-oxabicyclo[4.1.0]heptan-3-yl(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)methylidene]phosphane (CID 20764356) is [7-oxabicyclo[4.1.0]heptan-3-yl(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)methylidene]phosphane.
What is the SMILES notation for [7-oxabicyclo[4.1.0]heptan-3-yl(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)methylidene]phosphane?
The canonical SMILES for [7-oxabicyclo[4.1.0]heptan-3-yl(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)methylidene]phosphane is [H]/P=C(\OCC1CCC2OC2C1)C1CCC2OC2C1.
What is the InChIKey of [7-oxabicyclo[4.1.0]heptan-3-yl(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)methylidene]phosphane?
The InChIKey is PDIGIFLYWKJJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21O3P/c18-14(9-2-4-11-13(6-9)17-11)15-7-8-1-3-10-12(5-8)16-10/h8-13,18H,1-7H2.
What are the key properties of [7-oxabicyclo[4.1.0]heptan-3-yl(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)methylidene]phosphane?
[7-oxabicyclo[4.1.0]heptan-3-yl(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)methylidene]phosphane has a molecular weight of 268.29 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-oxabicyclo[4.1.0]heptan-3-yl(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)methylidene]phosphane is sourced from PubChem (CID 20764356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).