2-methyl-1-(2-methylbutan-2-yloxy)-3-phosphanylpentan-3-ol

C11H25O2P — CID 87078256

IUPAC2-methyl-1-(2-methylbutan-2-yloxy)-3-phosphanylpentan-3-ol
SMILESCCC(C)(C)OCC(C)C(O)(P)CC
InChIInChI=1S/C11H25O2P/c1-6-10(4,5)13-8-9(3)11(12,14)7-2/h9,12H,6-8,14H2,1-5H3
InChIKeyOVALGIGFUIURJL-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.80
Rot. Bonds6

About 2-methyl-1-(2-methylbutan-2-yloxy)-3-phosphanylpentan-3-ol

2-methyl-1-(2-methylbutan-2-yloxy)-3-phosphanylpentan-3-ol (PubChem CID 87078256) has the molecular formula C11H25O2P and a molecular weight of 220.29 g/mol. Its IUPAC name is 2-methyl-1-(2-methylbutan-2-yloxy)-3-phosphanylpentan-3-ol.

Molecular Properties

Compound Name2-methyl-1-(2-methylbutan-2-yloxy)-3-phosphanylpentan-3-ol
PubChem CID87078256
Molecular FormulaC11H25O2P
Molecular Weight220.29 g/mol
Exact Mass220.16
IUPAC Name2-methyl-1-(2-methylbutan-2-yloxy)-3-phosphanylpentan-3-ol
SMILESCCC(C)(C)OCC(C)C(O)(P)CC
InChIInChI=1S/C11H25O2P/c1-6-10(4,5)13-8-9(3)11(12,14)7-2/h9,12H,6-8,14H2,1-5H3
InChIKeyOVALGIGFUIURJL-UHFFFAOYSA-N
XLogP2.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylbutan-2-yloxy)-3-phosphanylpentan-3-ol?
The IUPAC name of 2-methyl-1-(2-methylbutan-2-yloxy)-3-phosphanylpentan-3-ol (CID 87078256) is 2-methyl-1-(2-methylbutan-2-yloxy)-3-phosphanylpentan-3-ol.
What is the SMILES notation for 2-methyl-1-(2-methylbutan-2-yloxy)-3-phosphanylpentan-3-ol?
The canonical SMILES for 2-methyl-1-(2-methylbutan-2-yloxy)-3-phosphanylpentan-3-ol is CCC(C)(C)OCC(C)C(O)(P)CC.
What is the InChIKey of 2-methyl-1-(2-methylbutan-2-yloxy)-3-phosphanylpentan-3-ol?
The InChIKey is OVALGIGFUIURJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25O2P/c1-6-10(4,5)13-8-9(3)11(12,14)7-2/h9,12H,6-8,14H2,1-5H3.
What are the key properties of 2-methyl-1-(2-methylbutan-2-yloxy)-3-phosphanylpentan-3-ol?
2-methyl-1-(2-methylbutan-2-yloxy)-3-phosphanylpentan-3-ol has a molecular weight of 220.29 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylbutan-2-yloxy)-3-phosphanylpentan-3-ol is sourced from PubChem (CID 87078256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).