1-(2-methylpropyl)-2-pentylphospholane

C13H27P — CID 138644939

IUPAC1-(2-methylpropyl)-2-pentylphospholane
SMILESCCCCCC1CCCP1CC(C)C
InChIInChI=1S/C13H27P/c1-4-5-6-8-13-9-7-10-14(13)11-12(2)3/h12-13H,4-11H2,1-3H3
InChIKeyJXDPJZCKWGGTQE-UHFFFAOYSA-N
MW214.33 g/mol
LogP4.87
Rot. Bonds6

About 1-(2-methylpropyl)-2-pentylphospholane

1-(2-methylpropyl)-2-pentylphospholane (PubChem CID 138644939) has the molecular formula C13H27P and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-pentylphospholane.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-pentylphospholane
PubChem CID138644939
Molecular FormulaC13H27P
Molecular Weight214.33 g/mol
Exact Mass214.19
IUPAC Name1-(2-methylpropyl)-2-pentylphospholane
SMILESCCCCCC1CCCP1CC(C)C
InChIInChI=1S/C13H27P/c1-4-5-6-8-13-9-7-10-14(13)11-12(2)3/h12-13H,4-11H2,1-3H3
InChIKeyJXDPJZCKWGGTQE-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2-pentylphospholane?
The IUPAC name of 1-(2-methylpropyl)-2-pentylphospholane (CID 138644939) is 1-(2-methylpropyl)-2-pentylphospholane.
What is the SMILES notation for 1-(2-methylpropyl)-2-pentylphospholane?
The canonical SMILES for 1-(2-methylpropyl)-2-pentylphospholane is CCCCCC1CCCP1CC(C)C.
What is the InChIKey of 1-(2-methylpropyl)-2-pentylphospholane?
The InChIKey is JXDPJZCKWGGTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27P/c1-4-5-6-8-13-9-7-10-14(13)11-12(2)3/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-(2-methylpropyl)-2-pentylphospholane?
1-(2-methylpropyl)-2-pentylphospholane has a molecular weight of 214.33 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2-pentylphospholane is sourced from PubChem (CID 138644939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).