3-butylheptyl-dioxido-oxo-λ5-phosphane

C11H23O3P-2 — CID 53443012

IUPAC3-butylheptyl-dioxido-oxo-λ5-phosphane
SMILESCCCCC(CCCC)CCP(=O)([O-])[O-]
InChIInChI=1S/C11H25O3P/c1-3-5-7-11(8-6-4-2)9-10-15(12,13)14/h11H,3-10H2,1-2H3,(H2,12,13,14)/p-2
InChIKeyVBTHNELMTUJDHR-UHFFFAOYSA-L
MW234.28 g/mol
LogP2.29
Rot. Bonds9

About 3-butylheptyl-dioxido-oxo-λ5-phosphane

3-butylheptyl-dioxido-oxo-λ5-phosphane (PubChem CID 53443012) has the molecular formula C11H23O3P-2 and a molecular weight of 234.28 g/mol. Its IUPAC name is 3-butylheptyl-dioxido-oxo-λ5-phosphane.

Molecular Properties

Compound Name3-butylheptyl-dioxido-oxo-λ5-phosphane
PubChem CID53443012
Molecular FormulaC11H23O3P-2
Molecular Weight234.28 g/mol
Exact Mass234.14
IUPAC Name3-butylheptyl-dioxido-oxo-λ5-phosphane
SMILESCCCCC(CCCC)CCP(=O)([O-])[O-]
InChIInChI=1S/C11H25O3P/c1-3-5-7-11(8-6-4-2)9-10-15(12,13)14/h11H,3-10H2,1-2H3,(H2,12,13,14)/p-2
InChIKeyVBTHNELMTUJDHR-UHFFFAOYSA-L
XLogP2.29
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tris(2-ethylhexyl-dioxido-oxo-λ5-phosphane);molybdenum
CID 18365586
dioxido-oxo-tridecyl-λ5-phosphane
CID 23340102
bis(bis(2-ethylhexyl)phosphinate);chromium(2+)
CID 18626793
cadmium(2+);dioxido-oxo-tridecyl-λ5-phosphane
CID 23340104
calcium hexadecyl-dioxido-oxo-λ5-phosphane
CID 87400108
magnesium dodecyl-dioxido-oxo-λ5-phosphane
CID 165391544
disodium;2-propylhexyl phosphate
CID 153363799
6-butylhenicosane
CID 91802566
methane;4-propyloctane
CID 160687994
13-butyldotriacontane
CID 91613083
14-butylheptatriacontane
CID 91361474
16-butylhentriacontane
CID 91509035

Frequently Asked Questions

What is the IUPAC name of 3-butylheptyl-dioxido-oxo-λ5-phosphane?
The IUPAC name of 3-butylheptyl-dioxido-oxo-λ5-phosphane (CID 53443012) is 3-butylheptyl-dioxido-oxo-λ5-phosphane.
What is the SMILES notation for 3-butylheptyl-dioxido-oxo-λ5-phosphane?
The canonical SMILES for 3-butylheptyl-dioxido-oxo-λ5-phosphane is CCCCC(CCCC)CCP(=O)([O-])[O-].
What is the InChIKey of 3-butylheptyl-dioxido-oxo-λ5-phosphane?
The InChIKey is VBTHNELMTUJDHR-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H25O3P/c1-3-5-7-11(8-6-4-2)9-10-15(12,13)14/h11H,3-10H2,1-2H3,(H2,12,13,14)/p-2.
What are the key properties of 3-butylheptyl-dioxido-oxo-λ5-phosphane?
3-butylheptyl-dioxido-oxo-λ5-phosphane has a molecular weight of 234.28 g/mol, XLogP of 2.29, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylheptyl-dioxido-oxo-λ5-phosphane is sourced from PubChem (CID 53443012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).