bromo-cyclopentyl-propan-2-ylphosphane

C16H32Br2P2 — CID 139995639

IUPACbromo-cyclopentyl-propan-2-ylphosphane
SMILESCC(C)P(Br)C1CCCC1.CC(C)P(Br)C1CCCC1
InChIInChI=1S/2C8H16BrP/c2*1-7(2)10(9)8-5-3-4-6-8/h2*7-8H,3-6H2,1-2H3
InChIKeyGJLPSEPRHSWBLR-UHFFFAOYSA-N
MW446.19 g/mol
LogP8.26
Rot. Bonds4

About bromo-cyclopentyl-propan-2-ylphosphane

bromo-cyclopentyl-propan-2-ylphosphane (PubChem CID 139995639) has the molecular formula C16H32Br2P2 and a molecular weight of 446.19 g/mol. Its IUPAC name is bromo-cyclopentyl-propan-2-ylphosphane.

Molecular Properties

Compound Namebromo-cyclopentyl-propan-2-ylphosphane
PubChem CID139995639
Molecular FormulaC16H32Br2P2
Molecular Weight446.19 g/mol
Exact Mass444.03
IUPAC Namebromo-cyclopentyl-propan-2-ylphosphane
SMILESCC(C)P(Br)C1CCCC1.CC(C)P(Br)C1CCCC1
InChIInChI=1S/2C8H16BrP/c2*1-7(2)10(9)8-5-3-4-6-8/h2*7-8H,3-6H2,1-2H3
InChIKeyGJLPSEPRHSWBLR-UHFFFAOYSA-N
XLogP8.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.19
LogP ≤ 58.26
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

CID 134991219
CID 134991219
CID 66716963
CID 66716963
CID 73357432
CID 73357432
CID 88029729
CID 88029729
CID 88030882
CID 88030882
CID 91654226
CID 91654226
CID 92014246
CID 92014246
CID 117974598
CID 117974598
CID 137319808
CID 137319808
CID 139995688
CID 139995688
CID 139995702
CID 139995702
CID 144926339
CID 144926339

Frequently Asked Questions

What is the IUPAC name of bromo-cyclopentyl-propan-2-ylphosphane?
The IUPAC name of bromo-cyclopentyl-propan-2-ylphosphane (CID 139995639) is bromo-cyclopentyl-propan-2-ylphosphane.
What is the SMILES notation for bromo-cyclopentyl-propan-2-ylphosphane?
The canonical SMILES for bromo-cyclopentyl-propan-2-ylphosphane is CC(C)P(Br)C1CCCC1.CC(C)P(Br)C1CCCC1.
What is the InChIKey of bromo-cyclopentyl-propan-2-ylphosphane?
The InChIKey is GJLPSEPRHSWBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H16BrP/c2*1-7(2)10(9)8-5-3-4-6-8/h2*7-8H,3-6H2,1-2H3.
What are the key properties of bromo-cyclopentyl-propan-2-ylphosphane?
bromo-cyclopentyl-propan-2-ylphosphane has a molecular weight of 446.19 g/mol, XLogP of 8.26, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-cyclopentyl-propan-2-ylphosphane is sourced from PubChem (CID 139995639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).