bromo-butan-2-yl-propylphosphane

C14H32Br2P2 — CID 139995637

IUPACbromo-butan-2-yl-propylphosphane
SMILESCCCP(Br)C(C)CC.CCCP(Br)C(C)CC
InChIInChI=1S/2C7H16BrP/c2*1-4-6-9(8)7(3)5-2/h2*7H,4-6H2,1-3H3
InChIKeyDHBMFRWUOFCASQ-UHFFFAOYSA-N
MW422.17 g/mol
LogP7.97
Rot. Bonds8

About bromo-butan-2-yl-propylphosphane

bromo-butan-2-yl-propylphosphane (PubChem CID 139995637) has the molecular formula C14H32Br2P2 and a molecular weight of 422.17 g/mol. Its IUPAC name is bromo-butan-2-yl-propylphosphane.

Molecular Properties

Compound Namebromo-butan-2-yl-propylphosphane
PubChem CID139995637
Molecular FormulaC14H32Br2P2
Molecular Weight422.17 g/mol
Exact Mass420.03
IUPAC Namebromo-butan-2-yl-propylphosphane
SMILESCCCP(Br)C(C)CC.CCCP(Br)C(C)CC
InChIInChI=1S/2C7H16BrP/c2*1-4-6-9(8)7(3)5-2/h2*7H,4-6H2,1-3H3
InChIKeyDHBMFRWUOFCASQ-UHFFFAOYSA-N
XLogP7.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.17
LogP ≤ 57.97
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

butan-2-yl-[[butan-2-yl(ethyl)phosphanyl]methyl]-ethylphosphane
CID 23501471
(R)-hexan-2-yl-methyl-propylphosphane
CID 88871089
butan-2-yl-bis(2-methylpentan-2-yl)phosphane
CID 139972821
butane-2-tellurol
CID 173009567
butan-2-yl-heptan-3-yl-octylphosphane
CID 144962295
di(propan-2-yloxy)-propylphosphane
CID 57116062
ethanamine;2-methylpentane
CID 143240474
1-dibutylphosphanylethanol
CID 89485463
2-methylbutane
CID 158117812
2-methylbutane
CID 159175971
bromo-heptyl-propylphosphane
CID 139995679
2-methylpentane
CID 7892

Frequently Asked Questions

What is the IUPAC name of bromo-butan-2-yl-propylphosphane?
The IUPAC name of bromo-butan-2-yl-propylphosphane (CID 139995637) is bromo-butan-2-yl-propylphosphane.
What is the SMILES notation for bromo-butan-2-yl-propylphosphane?
The canonical SMILES for bromo-butan-2-yl-propylphosphane is CCCP(Br)C(C)CC.CCCP(Br)C(C)CC.
What is the InChIKey of bromo-butan-2-yl-propylphosphane?
The InChIKey is DHBMFRWUOFCASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H16BrP/c2*1-4-6-9(8)7(3)5-2/h2*7H,4-6H2,1-3H3.
What are the key properties of bromo-butan-2-yl-propylphosphane?
bromo-butan-2-yl-propylphosphane has a molecular weight of 422.17 g/mol, XLogP of 7.97, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-butan-2-yl-propylphosphane is sourced from PubChem (CID 139995637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).