[2,6-dimethyl-4-(2-methyl-2-phosphanylpropyl)-6-phosphanylheptan-2-yl]phosphane

C13H31P3 — CID 123933060

IUPAC[2,6-dimethyl-4-(2-methyl-2-phosphanylpropyl)-6-phosphanylheptan-2-yl]phosphane
SMILESCC(C)(P)CC(CC(C)(C)P)CC(C)(C)P
InChIInChI=1S/C13H31P3/c1-11(2,14)7-10(8-12(3,4)15)9-13(5,6)16/h10H,7-9,14-16H2,1-6H3
InChIKeyNTGZFTFQKNLHMB-UHFFFAOYSA-N
MW280.31 g/mol
LogP4.73
Rot. Bonds6

About [2,6-dimethyl-4-(2-methyl-2-phosphanylpropyl)-6-phosphanylheptan-2-yl]phosphane

[2,6-dimethyl-4-(2-methyl-2-phosphanylpropyl)-6-phosphanylheptan-2-yl]phosphane (PubChem CID 123933060) has the molecular formula C13H31P3 and a molecular weight of 280.31 g/mol. Its IUPAC name is [2,6-dimethyl-4-(2-methyl-2-phosphanylpropyl)-6-phosphanylheptan-2-yl]phosphane.

Molecular Properties

Compound Name[2,6-dimethyl-4-(2-methyl-2-phosphanylpropyl)-6-phosphanylheptan-2-yl]phosphane
PubChem CID123933060
Molecular FormulaC13H31P3
Molecular Weight280.31 g/mol
Exact Mass280.16
IUPAC Name[2,6-dimethyl-4-(2-methyl-2-phosphanylpropyl)-6-phosphanylheptan-2-yl]phosphane
SMILESCC(C)(P)CC(CC(C)(C)P)CC(C)(C)P
InChIInChI=1S/C13H31P3/c1-11(2,14)7-10(8-12(3,4)15)9-13(5,6)16/h10H,7-9,14-16H2,1-6H3
InChIKeyNTGZFTFQKNLHMB-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 88561527
2,2,6,6-tetramethyl-4-propylheptane
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CID 143948641
[1-[2,2-bis(phosphanyl)propyl]-1,3,3-tris(phosphanyl)butyl]phosphane
CID 164810270
ethane;2,2,4,6,6-pentamethylheptane
CID 142211592
5-(2,2-dimethylpropyl)-2,2,8,8-tetramethylnonane;methane
CID 160846124
3-methoxy-2,2,5,5-tetramethylhexane
CID 12756025
(3-ethyl-2,2,5-trimethyloctan-3-yl)phosphane
CID 143524876

Frequently Asked Questions

What is the IUPAC name of [2,6-dimethyl-4-(2-methyl-2-phosphanylpropyl)-6-phosphanylheptan-2-yl]phosphane?
The IUPAC name of [2,6-dimethyl-4-(2-methyl-2-phosphanylpropyl)-6-phosphanylheptan-2-yl]phosphane (CID 123933060) is [2,6-dimethyl-4-(2-methyl-2-phosphanylpropyl)-6-phosphanylheptan-2-yl]phosphane.
What is the SMILES notation for [2,6-dimethyl-4-(2-methyl-2-phosphanylpropyl)-6-phosphanylheptan-2-yl]phosphane?
The canonical SMILES for [2,6-dimethyl-4-(2-methyl-2-phosphanylpropyl)-6-phosphanylheptan-2-yl]phosphane is CC(C)(P)CC(CC(C)(C)P)CC(C)(C)P.
What is the InChIKey of [2,6-dimethyl-4-(2-methyl-2-phosphanylpropyl)-6-phosphanylheptan-2-yl]phosphane?
The InChIKey is NTGZFTFQKNLHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31P3/c1-11(2,14)7-10(8-12(3,4)15)9-13(5,6)16/h10H,7-9,14-16H2,1-6H3.
What are the key properties of [2,6-dimethyl-4-(2-methyl-2-phosphanylpropyl)-6-phosphanylheptan-2-yl]phosphane?
[2,6-dimethyl-4-(2-methyl-2-phosphanylpropyl)-6-phosphanylheptan-2-yl]phosphane has a molecular weight of 280.31 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dimethyl-4-(2-methyl-2-phosphanylpropyl)-6-phosphanylheptan-2-yl]phosphane is sourced from PubChem (CID 123933060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).