1-[2-(3,5-dimethoxyphosphinan-1-yl)ethyl]-3,5-dimethoxyphosphinane

C16H32O4P2 — CID 54145364

IUPAC1-[2-(3,5-dimethoxyphosphinan-1-yl)ethyl]-3,5-dimethoxyphosphinane
SMILESCOC1CC(OC)CP(CCP2CC(OC)CC(OC)C2)C1
InChIInChI=1S/C16H32O4P2/c1-17-13-7-14(18-2)10-21(9-13)5-6-22-11-15(19-3)8-16(12-22)20-4/h13-16H,5-12H2,1-4H3
InChIKeyODZULQRNIRACJH-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.82
Rot. Bonds7

About 1-[2-(3,5-dimethoxyphosphinan-1-yl)ethyl]-3,5-dimethoxyphosphinane

1-[2-(3,5-dimethoxyphosphinan-1-yl)ethyl]-3,5-dimethoxyphosphinane (PubChem CID 54145364) has the molecular formula C16H32O4P2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 1-[2-(3,5-dimethoxyphosphinan-1-yl)ethyl]-3,5-dimethoxyphosphinane.

Molecular Properties

Compound Name1-[2-(3,5-dimethoxyphosphinan-1-yl)ethyl]-3,5-dimethoxyphosphinane
PubChem CID54145364
Molecular FormulaC16H32O4P2
Molecular Weight350.38 g/mol
Exact Mass350.18
IUPAC Name1-[2-(3,5-dimethoxyphosphinan-1-yl)ethyl]-3,5-dimethoxyphosphinane
SMILESCOC1CC(OC)CP(CCP2CC(OC)CC(OC)C2)C1
InChIInChI=1S/C16H32O4P2/c1-17-13-7-14(18-2)10-21(9-13)5-6-22-11-15(19-3)8-16(12-22)20-4/h13-16H,5-12H2,1-4H3
InChIKeyODZULQRNIRACJH-UHFFFAOYSA-N
XLogP2.82
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethoxyphosphinan-1-yl)ethyl]-3,5-dimethoxyphosphinane?
The IUPAC name of 1-[2-(3,5-dimethoxyphosphinan-1-yl)ethyl]-3,5-dimethoxyphosphinane (CID 54145364) is 1-[2-(3,5-dimethoxyphosphinan-1-yl)ethyl]-3,5-dimethoxyphosphinane.
What is the SMILES notation for 1-[2-(3,5-dimethoxyphosphinan-1-yl)ethyl]-3,5-dimethoxyphosphinane?
The canonical SMILES for 1-[2-(3,5-dimethoxyphosphinan-1-yl)ethyl]-3,5-dimethoxyphosphinane is COC1CC(OC)CP(CCP2CC(OC)CC(OC)C2)C1.
What is the InChIKey of 1-[2-(3,5-dimethoxyphosphinan-1-yl)ethyl]-3,5-dimethoxyphosphinane?
The InChIKey is ODZULQRNIRACJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O4P2/c1-17-13-7-14(18-2)10-21(9-13)5-6-22-11-15(19-3)8-16(12-22)20-4/h13-16H,5-12H2,1-4H3.
What are the key properties of 1-[2-(3,5-dimethoxyphosphinan-1-yl)ethyl]-3,5-dimethoxyphosphinane?
1-[2-(3,5-dimethoxyphosphinan-1-yl)ethyl]-3,5-dimethoxyphosphinane has a molecular weight of 350.38 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethoxyphosphinan-1-yl)ethyl]-3,5-dimethoxyphosphinane is sourced from PubChem (CID 54145364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).