3,4,6,6-tetramethylheptan-3-ylphosphane

C11H25P — CID 88561527

IUPAC3,4,6,6-tetramethylheptan-3-ylphosphane
SMILESCCC(C)(P)C(C)CC(C)(C)C
InChIInChI=1S/C11H25P/c1-7-11(6,12)9(2)8-10(3,4)5/h9H,7-8,12H2,1-6H3
InChIKeyOTRHZWRNPLXRRE-UHFFFAOYSA-N
MW188.29 g/mol
LogP4.10
Rot. Bonds3

About 3,4,6,6-tetramethylheptan-3-ylphosphane

3,4,6,6-tetramethylheptan-3-ylphosphane (PubChem CID 88561527) has the molecular formula C11H25P and a molecular weight of 188.29 g/mol. Its IUPAC name is 3,4,6,6-tetramethylheptan-3-ylphosphane.

Molecular Properties

Compound Name3,4,6,6-tetramethylheptan-3-ylphosphane
PubChem CID88561527
Molecular FormulaC11H25P
Molecular Weight188.29 g/mol
Exact Mass188.17
IUPAC Name3,4,6,6-tetramethylheptan-3-ylphosphane
SMILESCCC(C)(P)C(C)CC(C)(C)C
InChIInChI=1S/C11H25P/c1-7-11(6,12)9(2)8-10(3,4)5/h9H,7-8,12H2,1-6H3
InChIKeyOTRHZWRNPLXRRE-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4,6,6-tetramethylheptan-3-ylphosphane?
The IUPAC name of 3,4,6,6-tetramethylheptan-3-ylphosphane (CID 88561527) is 3,4,6,6-tetramethylheptan-3-ylphosphane.
What is the SMILES notation for 3,4,6,6-tetramethylheptan-3-ylphosphane?
The canonical SMILES for 3,4,6,6-tetramethylheptan-3-ylphosphane is CCC(C)(P)C(C)CC(C)(C)C.
What is the InChIKey of 3,4,6,6-tetramethylheptan-3-ylphosphane?
The InChIKey is OTRHZWRNPLXRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25P/c1-7-11(6,12)9(2)8-10(3,4)5/h9H,7-8,12H2,1-6H3.
What are the key properties of 3,4,6,6-tetramethylheptan-3-ylphosphane?
3,4,6,6-tetramethylheptan-3-ylphosphane has a molecular weight of 188.29 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,6-tetramethylheptan-3-ylphosphane is sourced from PubChem (CID 88561527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).