dichlorophosphane;octylbenzene

C14H23Cl2P — CID 173449895

IUPACdichlorophosphane;octylbenzene
SMILESCCCCCCCCc1ccccc1.ClPCl
InChIInChI=1S/C14H22.Cl2HP/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14;1-3-2/h7,9-10,12-13H,2-6,8,11H2,1H3;3H
InChIKeyOSGAZVUKFJCLMF-UHFFFAOYSA-N
MW293.22 g/mol
LogP6.56
Rot. Bonds7

About dichlorophosphane;octylbenzene

dichlorophosphane;octylbenzene (PubChem CID 173449895) has the molecular formula C14H23Cl2P and a molecular weight of 293.22 g/mol. Its IUPAC name is dichlorophosphane;octylbenzene.

Molecular Properties

Compound Namedichlorophosphane;octylbenzene
PubChem CID173449895
Molecular FormulaC14H23Cl2P
Molecular Weight293.22 g/mol
Exact Mass292.09
IUPAC Namedichlorophosphane;octylbenzene
SMILESCCCCCCCCc1ccccc1.ClPCl
InChIInChI=1S/C14H22.Cl2HP/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14;1-3-2/h7,9-10,12-13H,2-6,8,11H2,1H3;3H
InChIKeyOSGAZVUKFJCLMF-UHFFFAOYSA-N
XLogP6.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.22
LogP ≤ 56.56
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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Related Compounds

octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
hexylbenzene;hydrogen peroxide
CID 90001206
CID 67791041
CID 67791041
dodecylbenzene;sulfane
CID 20560423
azane;tetradecylbenzene
CID 70503489
sodium;hydride;pentadecylbenzene
CID 173461904
potassium;hydride;octadecylbenzene
CID 173344678
acetylene;dodecylbenzene;ethane
CID 91021097

Frequently Asked Questions

What is the IUPAC name of dichlorophosphane;octylbenzene?
The IUPAC name of dichlorophosphane;octylbenzene (CID 173449895) is dichlorophosphane;octylbenzene.
What is the SMILES notation for dichlorophosphane;octylbenzene?
The canonical SMILES for dichlorophosphane;octylbenzene is CCCCCCCCc1ccccc1.ClPCl.
What is the InChIKey of dichlorophosphane;octylbenzene?
The InChIKey is OSGAZVUKFJCLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22.Cl2HP/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14;1-3-2/h7,9-10,12-13H,2-6,8,11H2,1H3;3H.
What are the key properties of dichlorophosphane;octylbenzene?
dichlorophosphane;octylbenzene has a molecular weight of 293.22 g/mol, XLogP of 6.56, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorophosphane;octylbenzene is sourced from PubChem (CID 173449895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).