(3-methyl-1-phosphanylbutan-2-yl)phosphane

C5H14P2 — CID 170120297

IUPAC(3-methyl-1-phosphanylbutan-2-yl)phosphane
SMILESCC(C)C(P)CP
InChIInChI=1S/C5H14P2/c1-4(2)5(7)3-6/h4-5H,3,6-7H2,1-2H3
InChIKeyYAFYDLMBRYUONP-UHFFFAOYSA-N
MW136.11 g/mol
LogP1.76
Rot. Bonds2

About (3-methyl-1-phosphanylbutan-2-yl)phosphane

(3-methyl-1-phosphanylbutan-2-yl)phosphane (PubChem CID 170120297) has the molecular formula C5H14P2 and a molecular weight of 136.11 g/mol. Its IUPAC name is (3-methyl-1-phosphanylbutan-2-yl)phosphane.

Molecular Properties

Compound Name(3-methyl-1-phosphanylbutan-2-yl)phosphane
PubChem CID170120297
Molecular FormulaC5H14P2
Molecular Weight136.11 g/mol
Exact Mass136.06
IUPAC Name(3-methyl-1-phosphanylbutan-2-yl)phosphane
SMILESCC(C)C(P)CP
InChIInChI=1S/C5H14P2/c1-4(2)5(7)3-6/h4-5H,3,6-7H2,1-2H3
InChIKeyYAFYDLMBRYUONP-UHFFFAOYSA-N
XLogP1.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.11
LogP ≤ 51.76
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-methyl-1-phosphanylbutan-2-yl)phosphane?
The IUPAC name of (3-methyl-1-phosphanylbutan-2-yl)phosphane (CID 170120297) is (3-methyl-1-phosphanylbutan-2-yl)phosphane.
What is the SMILES notation for (3-methyl-1-phosphanylbutan-2-yl)phosphane?
The canonical SMILES for (3-methyl-1-phosphanylbutan-2-yl)phosphane is CC(C)C(P)CP.
What is the InChIKey of (3-methyl-1-phosphanylbutan-2-yl)phosphane?
The InChIKey is YAFYDLMBRYUONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14P2/c1-4(2)5(7)3-6/h4-5H,3,6-7H2,1-2H3.
What are the key properties of (3-methyl-1-phosphanylbutan-2-yl)phosphane?
(3-methyl-1-phosphanylbutan-2-yl)phosphane has a molecular weight of 136.11 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-phosphanylbutan-2-yl)phosphane is sourced from PubChem (CID 170120297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).