(7,7-dimethoxy-3-methylhept-2-enoxy)-phosphanylphosphane

C10H22O3P2 — CID 123837486

IUPAC(7,7-dimethoxy-3-methylhept-2-enoxy)-phosphanylphosphane
SMILESCOC(CCCC(C)=CCOPP)OC
InChIInChI=1S/C10H22O3P2/c1-9(7-8-13-15-14)5-4-6-10(11-2)12-3/h7,10,15H,4-6,8,14H2,1-3H3
InChIKeyPXVSDEHVXGZYMI-UHFFFAOYSA-N
MW252.23 g/mol
LogP3.12
Rot. Bonds9

About (7,7-dimethoxy-3-methylhept-2-enoxy)-phosphanylphosphane

(7,7-dimethoxy-3-methylhept-2-enoxy)-phosphanylphosphane (PubChem CID 123837486) has the molecular formula C10H22O3P2 and a molecular weight of 252.23 g/mol. Its IUPAC name is (7,7-dimethoxy-3-methylhept-2-enoxy)-phosphanylphosphane.

Molecular Properties

Compound Name(7,7-dimethoxy-3-methylhept-2-enoxy)-phosphanylphosphane
PubChem CID123837486
Molecular FormulaC10H22O3P2
Molecular Weight252.23 g/mol
Exact Mass252.10
IUPAC Name(7,7-dimethoxy-3-methylhept-2-enoxy)-phosphanylphosphane
SMILESCOC(CCCC(C)=CCOPP)OC
InChIInChI=1S/C10H22O3P2/c1-9(7-8-13-15-14)5-4-6-10(11-2)12-3/h7,10,15H,4-6,8,14H2,1-3H3
InChIKeyPXVSDEHVXGZYMI-UHFFFAOYSA-N
XLogP3.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7,7-dimethoxy-3-methylhept-2-enoxy)-phosphanylphosphane?
The IUPAC name of (7,7-dimethoxy-3-methylhept-2-enoxy)-phosphanylphosphane (CID 123837486) is (7,7-dimethoxy-3-methylhept-2-enoxy)-phosphanylphosphane.
What is the SMILES notation for (7,7-dimethoxy-3-methylhept-2-enoxy)-phosphanylphosphane?
The canonical SMILES for (7,7-dimethoxy-3-methylhept-2-enoxy)-phosphanylphosphane is COC(CCCC(C)=CCOPP)OC.
What is the InChIKey of (7,7-dimethoxy-3-methylhept-2-enoxy)-phosphanylphosphane?
The InChIKey is PXVSDEHVXGZYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3P2/c1-9(7-8-13-15-14)5-4-6-10(11-2)12-3/h7,10,15H,4-6,8,14H2,1-3H3.
What are the key properties of (7,7-dimethoxy-3-methylhept-2-enoxy)-phosphanylphosphane?
(7,7-dimethoxy-3-methylhept-2-enoxy)-phosphanylphosphane has a molecular weight of 252.23 g/mol, XLogP of 3.12, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7,7-dimethoxy-3-methylhept-2-enoxy)-phosphanylphosphane is sourced from PubChem (CID 123837486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).