bromo-cyclopentyl-ethylphosphane

C14H28Br2P2 — CID 139995702

IUPACbromo-cyclopentyl-ethylphosphane
SMILESCCP(Br)C1CCCC1.CCP(Br)C1CCCC1
InChIInChI=1S/2C7H14BrP/c2*1-2-9(8)7-5-3-4-6-7/h2*7H,2-6H2,1H3
InChIKeyNCVHLUSMQNGZMS-UHFFFAOYSA-N
MW418.13 g/mol
LogP7.48
Rot. Bonds4

About bromo-cyclopentyl-ethylphosphane

bromo-cyclopentyl-ethylphosphane (PubChem CID 139995702) has the molecular formula C14H28Br2P2 and a molecular weight of 418.13 g/mol. Its IUPAC name is bromo-cyclopentyl-ethylphosphane.

Molecular Properties

Compound Namebromo-cyclopentyl-ethylphosphane
PubChem CID139995702
Molecular FormulaC14H28Br2P2
Molecular Weight418.13 g/mol
Exact Mass416.00
IUPAC Namebromo-cyclopentyl-ethylphosphane
SMILESCCP(Br)C1CCCC1.CCP(Br)C1CCCC1
InChIInChI=1S/2C7H14BrP/c2*1-2-9(8)7-5-3-4-6-7/h2*7H,2-6H2,1H3
InChIKeyNCVHLUSMQNGZMS-UHFFFAOYSA-N
XLogP7.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.13
LogP ≤ 57.48
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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cyclohexyl-ethyl-octylphosphane
CID 90109221
tri(cyclooctyl)phosphane
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tri(cyclododecyl)phosphane
CID 19065577
cyclohexyl-[4-[cyclohexyl(methyl)phosphanyl]butyl]-methylphosphane
CID 90057473
cyclopentyl(dipropyl)phosphane
CID 14322919
cyclohexyl(diheptyl)phosphane
CID 118892787
propanoic acid;ruthenium;bis(tricyclohexylphosphane)
CID 10974652
1-fluoropropylcyclohexane
CID 175482470
dicyclohexyl-ethyl-dimethyl-λ5-phosphane
CID 59356918
dibromocobalt;bis(tricyclohexylphosphane)
CID 159401861
silane;tricyclohexylphosphane
CID 158384701

Frequently Asked Questions

What is the IUPAC name of bromo-cyclopentyl-ethylphosphane?
The IUPAC name of bromo-cyclopentyl-ethylphosphane (CID 139995702) is bromo-cyclopentyl-ethylphosphane.
What is the SMILES notation for bromo-cyclopentyl-ethylphosphane?
The canonical SMILES for bromo-cyclopentyl-ethylphosphane is CCP(Br)C1CCCC1.CCP(Br)C1CCCC1.
What is the InChIKey of bromo-cyclopentyl-ethylphosphane?
The InChIKey is NCVHLUSMQNGZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H14BrP/c2*1-2-9(8)7-5-3-4-6-7/h2*7H,2-6H2,1H3.
What are the key properties of bromo-cyclopentyl-ethylphosphane?
bromo-cyclopentyl-ethylphosphane has a molecular weight of 418.13 g/mol, XLogP of 7.48, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-cyclopentyl-ethylphosphane is sourced from PubChem (CID 139995702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).