tert-butyl-[2-[cyclohexyl(methyl)phosphanyl]ethyl]-methylphosphane

C14H30P2 — CID 177409079

IUPACtert-butyl-[2-[cyclohexyl(methyl)phosphanyl]ethyl]-methylphosphane
SMILESCP(CCP(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C14H30P2/c1-14(2,3)16(5)12-11-15(4)13-9-7-6-8-10-13/h13H,6-12H2,1-5H3
InChIKeyRYXRUWIGIGLOMY-UHFFFAOYSA-N
MW260.34 g/mol
LogP5.34
Rot. Bonds4

About tert-butyl-[2-[cyclohexyl(methyl)phosphanyl]ethyl]-methylphosphane

tert-butyl-[2-[cyclohexyl(methyl)phosphanyl]ethyl]-methylphosphane (PubChem CID 177409079) has the molecular formula C14H30P2 and a molecular weight of 260.34 g/mol. Its IUPAC name is tert-butyl-[2-[cyclohexyl(methyl)phosphanyl]ethyl]-methylphosphane.

Molecular Properties

Compound Nametert-butyl-[2-[cyclohexyl(methyl)phosphanyl]ethyl]-methylphosphane
PubChem CID177409079
Molecular FormulaC14H30P2
Molecular Weight260.34 g/mol
Exact Mass260.18
IUPAC Nametert-butyl-[2-[cyclohexyl(methyl)phosphanyl]ethyl]-methylphosphane
SMILESCP(CCP(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C14H30P2/c1-14(2,3)16(5)12-11-15(4)13-9-7-6-8-10-13/h13H,6-12H2,1-5H3
InChIKeyRYXRUWIGIGLOMY-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.34
LogP ≤ 55.34
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 tert-butyl-[2-[cyclohexyl(methyl)phosphanyl]ethyl]-methylphosphane?
The IUPAC name of tert-butyl-[2-[cyclohexyl(methyl)phosphanyl]ethyl]-methylphosphane (CID 177409079) is tert-butyl-[2-[cyclohexyl(methyl)phosphanyl]ethyl]-methylphosphane.
What is the SMILES notation for tert-butyl-[2-[cyclohexyl(methyl)phosphanyl]ethyl]-methylphosphane?
The canonical SMILES for tert-butyl-[2-[cyclohexyl(methyl)phosphanyl]ethyl]-methylphosphane is CP(CCP(C)C(C)(C)C)C1CCCCC1.
What is the InChIKey of tert-butyl-[2-[cyclohexyl(methyl)phosphanyl]ethyl]-methylphosphane?
The InChIKey is RYXRUWIGIGLOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30P2/c1-14(2,3)16(5)12-11-15(4)13-9-7-6-8-10-13/h13H,6-12H2,1-5H3.
What are the key properties of tert-butyl-[2-[cyclohexyl(methyl)phosphanyl]ethyl]-methylphosphane?
tert-butyl-[2-[cyclohexyl(methyl)phosphanyl]ethyl]-methylphosphane has a molecular weight of 260.34 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[cyclohexyl(methyl)phosphanyl]ethyl]-methylphosphane is sourced from PubChem (CID 177409079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).