CID 87532527

C6H14BClP — CID 87532527

IUPAC—
SMILESCC(C)P(Cl)C(C)C.[B]
InChIInChI=1S/C6H14ClP.B/c1-5(2)8(7)6(3)4;/h5-6H,1-4H3;
InChIKeyMIHAJUJPDATNCL-UHFFFAOYSA-N
MW163.42 g/mol
LogP3.06
Rot. Bonds2

About CID 87532527

CID 87532527 (PubChem CID 87532527) has the molecular formula C6H14BClP and a molecular weight of 163.42 g/mol.

Molecular Properties

Compound NameCID 87532527
PubChem CID87532527
Molecular FormulaC6H14BClP
Molecular Weight163.42 g/mol
Exact Mass163.06
IUPAC Name—
SMILESCC(C)P(Cl)C(C)C.[B]
InChIInChI=1S/C6H14ClP.B/c1-5(2)8(7)6(3)4;/h5-6H,1-4H3;
InChIKeyMIHAJUJPDATNCL-UHFFFAOYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.42
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

chloro-(1-chloroethyl)-propan-2-ylphosphane
CID 174764448
chloro-(1-chloroethyl)-propan-2-ylphosphane;hydrochloride
CID 174764447
chloro-[2-[chloro(propan-2-yl)phosphanyl]ethyl]-propan-2-ylphosphane
CID 12932751
chlororuthenium;tris(tri(propan-2-yl)phosphane)
CID 173316351
1-dichlorophosphanylpropan-2-ol
CID 175474744
2-di(propan-2-yl)phosphanylpropan-2-yl-di(propan-2-yl)phosphane
CID 89346513
chloro-methyl-(2-methylpropoxy)phosphane;ethane
CID 144828802
tris[2-di(propan-2-yl)phosphanylethyl]phosphane
CID 102285026
tris(3-methylbutyl)phosphane
CID 14324804
2-(chloromethoxy)-1-methoxypropane
CID 79529090
bis(2-methylpropylsulfanyl)methyl-dichlorophosphane
CID 13379647
chloro(trimethyl)phosphanium
CID 15830224

Frequently Asked Questions

What is the IUPAC name of CID 87532527?
The IUPAC name of CID 87532527 (CID 87532527) is not available.
What is the SMILES notation for CID 87532527?
The canonical SMILES for CID 87532527 is CC(C)P(Cl)C(C)C.[B].
What is the InChIKey of CID 87532527?
The InChIKey is MIHAJUJPDATNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClP.B/c1-5(2)8(7)6(3)4;/h5-6H,1-4H3;.
What are the key properties of CID 87532527?
CID 87532527 has a molecular weight of 163.42 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87532527 is sourced from PubChem (CID 87532527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).