1,1-dimethoxybutyl(dimethoxy)phosphane

C8H19O4P — CID 57154282

IUPAC1,1-dimethoxybutyl(dimethoxy)phosphane
SMILESCCCC(OC)(OC)P(OC)OC
InChIInChI=1S/C8H19O4P/c1-6-7-8(9-2,10-3)13(11-4)12-5/h6-7H2,1-5H3
InChIKeyKCLQQYJWULKADA-UHFFFAOYSA-N
MW210.21 g/mol
LogP2.34
Rot. Bonds7

About 1,1-dimethoxybutyl(dimethoxy)phosphane

1,1-dimethoxybutyl(dimethoxy)phosphane (PubChem CID 57154282) has the molecular formula C8H19O4P and a molecular weight of 210.21 g/mol. Its IUPAC name is 1,1-dimethoxybutyl(dimethoxy)phosphane.

Molecular Properties

Compound Name1,1-dimethoxybutyl(dimethoxy)phosphane
PubChem CID57154282
Molecular FormulaC8H19O4P
Molecular Weight210.21 g/mol
Exact Mass210.10
IUPAC Name1,1-dimethoxybutyl(dimethoxy)phosphane
SMILESCCCC(OC)(OC)P(OC)OC
InChIInChI=1S/C8H19O4P/c1-6-7-8(9-2,10-3)13(11-4)12-5/h6-7H2,1-5H3
InChIKeyKCLQQYJWULKADA-UHFFFAOYSA-N
XLogP2.34
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1-dimethoxybutylphosphonous acid
CID 19379620
CID 173037617
CID 173037617
3-ethyl-3-methoxydecane
CID 89190150
10-methoxy-10-propylicosane
CID 158279749
10-methoxy-10-propyltricosane
CID 159618690
CID 23287435
CID 23287435
1,1,1,21,21,21-hexamethoxy-11,11-dipropylhenicosane
CID 151648189
11-methoxy-11-nonyltetracosane
CID 159441841
1,1,1-trimethoxytridecane
CID 102481821
4-methoxy-4-(methoxymethyl)heptane
CID 174395749
4-(1,1-dimethoxyethyl)-4-methoxydodecane
CID 151569502
3,3-dimethoxynonane
CID 14785776

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxybutyl(dimethoxy)phosphane?
The IUPAC name of 1,1-dimethoxybutyl(dimethoxy)phosphane (CID 57154282) is 1,1-dimethoxybutyl(dimethoxy)phosphane.
What is the SMILES notation for 1,1-dimethoxybutyl(dimethoxy)phosphane?
The canonical SMILES for 1,1-dimethoxybutyl(dimethoxy)phosphane is CCCC(OC)(OC)P(OC)OC.
What is the InChIKey of 1,1-dimethoxybutyl(dimethoxy)phosphane?
The InChIKey is KCLQQYJWULKADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O4P/c1-6-7-8(9-2,10-3)13(11-4)12-5/h6-7H2,1-5H3.
What are the key properties of 1,1-dimethoxybutyl(dimethoxy)phosphane?
1,1-dimethoxybutyl(dimethoxy)phosphane has a molecular weight of 210.21 g/mol, XLogP of 2.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxybutyl(dimethoxy)phosphane is sourced from PubChem (CID 57154282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).