benzyl(pentadecyl)phosphane;hydrobromide

C22H40BrP — CID 174798232

IUPACbenzyl(pentadecyl)phosphane;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCPCc1ccccc1
InChIInChI=1S/C22H39P.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23-21-22-18-15-14-16-19-22;/h14-16,18-19,23H,2-13,17,20-21H2,1H3;1H
InChIKeyUDORBDNSFNTZSN-UHFFFAOYSA-N
MW415.44 g/mol
LogP8.53
Rot. Bonds16

About benzyl(pentadecyl)phosphane;hydrobromide

benzyl(pentadecyl)phosphane;hydrobromide (PubChem CID 174798232) has the molecular formula C22H40BrP and a molecular weight of 415.44 g/mol. Its IUPAC name is benzyl(pentadecyl)phosphane;hydrobromide.

Molecular Properties

Compound Namebenzyl(pentadecyl)phosphane;hydrobromide
PubChem CID174798232
Molecular FormulaC22H40BrP
Molecular Weight415.44 g/mol
Exact Mass414.21
IUPAC Namebenzyl(pentadecyl)phosphane;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCPCc1ccccc1
InChIInChI=1S/C22H39P.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23-21-22-18-15-14-16-19-22;/h14-16,18-19,23H,2-13,17,20-21H2,1H3;1H
InChIKeyUDORBDNSFNTZSN-UHFFFAOYSA-N
XLogP8.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.44
LogP ≤ 58.53
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

benzyl(pentadecyl)phosphane
CID 174798233
benzyl(propyl)phosphane
CID 69425003
decyl(2-phenylethyl)phosphane
CID 69425804
butyl(2-phenylethyl)phosphane
CID 69425229
hexakis(decane);ethylbenzene
CID 173398562
dibenzyl(didecyl)phosphanium
CID 69307785
heptadecyl(3,3,3-triphenylpropyl)phosphane
CID 69389149
pentadecane;pentadecylbenzene
CID 174970881
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347

Frequently Asked Questions

What is the IUPAC name of benzyl(pentadecyl)phosphane;hydrobromide?
The IUPAC name of benzyl(pentadecyl)phosphane;hydrobromide (CID 174798232) is benzyl(pentadecyl)phosphane;hydrobromide.
What is the SMILES notation for benzyl(pentadecyl)phosphane;hydrobromide?
The canonical SMILES for benzyl(pentadecyl)phosphane;hydrobromide is Br.CCCCCCCCCCCCCCCPCc1ccccc1.
What is the InChIKey of benzyl(pentadecyl)phosphane;hydrobromide?
The InChIKey is UDORBDNSFNTZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39P.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23-21-22-18-15-14-16-19-22;/h14-16,18-19,23H,2-13,17,20-21H2,1H3;1H.
What are the key properties of benzyl(pentadecyl)phosphane;hydrobromide?
benzyl(pentadecyl)phosphane;hydrobromide has a molecular weight of 415.44 g/mol, XLogP of 8.53, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(pentadecyl)phosphane;hydrobromide is sourced from PubChem (CID 174798232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).