[1,4,7-trimethyl-4,7-bis(phosphanyl)cyclononyl]phosphane

C12H27P3 — CID 18974584

IUPAC[1,4,7-trimethyl-4,7-bis(phosphanyl)cyclononyl]phosphane
SMILESCC1(P)CCC(C)(P)CCC(C)(P)CC1
InChIInChI=1S/C12H27P3/c1-10(13)4-6-11(2,14)8-9-12(3,15)7-5-10/h4-9,13-15H2,1-3H3
InChIKeyFBOOARDCFITDPC-UHFFFAOYSA-N
MW264.27 g/mol
LogP4.24
Rot. Bonds

About [1,4,7-trimethyl-4,7-bis(phosphanyl)cyclononyl]phosphane

[1,4,7-trimethyl-4,7-bis(phosphanyl)cyclononyl]phosphane (PubChem CID 18974584) has the molecular formula C12H27P3 and a molecular weight of 264.27 g/mol. Its IUPAC name is [1,4,7-trimethyl-4,7-bis(phosphanyl)cyclononyl]phosphane.

Molecular Properties

Compound Name[1,4,7-trimethyl-4,7-bis(phosphanyl)cyclononyl]phosphane
PubChem CID18974584
Molecular FormulaC12H27P3
Molecular Weight264.27 g/mol
Exact Mass264.13
IUPAC Name[1,4,7-trimethyl-4,7-bis(phosphanyl)cyclononyl]phosphane
SMILESCC1(P)CCC(C)(P)CCC(C)(P)CC1
InChIInChI=1S/C12H27P3/c1-10(13)4-6-11(2,14)8-9-12(3,15)7-5-10/h4-9,13-15H2,1-3H3
InChIKeyFBOOARDCFITDPC-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 54.24
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 [1,4,7-trimethyl-4,7-bis(phosphanyl)cyclononyl]phosphane?
The IUPAC name of [1,4,7-trimethyl-4,7-bis(phosphanyl)cyclononyl]phosphane (CID 18974584) is [1,4,7-trimethyl-4,7-bis(phosphanyl)cyclononyl]phosphane.
What is the SMILES notation for [1,4,7-trimethyl-4,7-bis(phosphanyl)cyclononyl]phosphane?
The canonical SMILES for [1,4,7-trimethyl-4,7-bis(phosphanyl)cyclononyl]phosphane is CC1(P)CCC(C)(P)CCC(C)(P)CC1.
What is the InChIKey of [1,4,7-trimethyl-4,7-bis(phosphanyl)cyclononyl]phosphane?
The InChIKey is FBOOARDCFITDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27P3/c1-10(13)4-6-11(2,14)8-9-12(3,15)7-5-10/h4-9,13-15H2,1-3H3.
What are the key properties of [1,4,7-trimethyl-4,7-bis(phosphanyl)cyclononyl]phosphane?
[1,4,7-trimethyl-4,7-bis(phosphanyl)cyclononyl]phosphane has a molecular weight of 264.27 g/mol, XLogP of 4.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1,4,7-trimethyl-4,7-bis(phosphanyl)cyclononyl]phosphane is sourced from PubChem (CID 18974584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).