(10-methyl-9-octyloctadecan-9-yl)phosphane;hydrobromide

C27H58BrP — CID 173157963

IUPAC(10-methyl-9-octyloctadecan-9-yl)phosphane;hydrobromide
SMILESBr.CCCCCCCCC(C)C(P)(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C27H57P.BrH/c1-5-8-11-14-17-20-23-26(4)27(28,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;/h26H,5-25,28H2,1-4H3;1H
InChIKeyIGHZGSJSHHMKCM-UHFFFAOYSA-N
MW493.64 g/mol
LogP11.07
Rot. Bonds22

About (10-methyl-9-octyloctadecan-9-yl)phosphane;hydrobromide

(10-methyl-9-octyloctadecan-9-yl)phosphane;hydrobromide (PubChem CID 173157963) has the molecular formula C27H58BrP and a molecular weight of 493.64 g/mol. Its IUPAC name is (10-methyl-9-octyloctadecan-9-yl)phosphane;hydrobromide.

Molecular Properties

Compound Name(10-methyl-9-octyloctadecan-9-yl)phosphane;hydrobromide
PubChem CID173157963
Molecular FormulaC27H58BrP
Molecular Weight493.64 g/mol
Exact Mass492.35
IUPAC Name(10-methyl-9-octyloctadecan-9-yl)phosphane;hydrobromide
SMILESBr.CCCCCCCCC(C)C(P)(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C27H57P.BrH/c1-5-8-11-14-17-20-23-26(4)27(28,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;/h26H,5-25,28H2,1-4H3;1H
InChIKeyIGHZGSJSHHMKCM-UHFFFAOYSA-N
XLogP11.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.64
LogP ≤ 511.07
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

7,8-dihexylheptadecan-7-ylphosphane;hydrobromide
CID 173157969
7,8-dihexyltetradecan-7-ylphosphane;hydrobromide
CID 173157930
(8-methyl-7-phosphanyltetradecan-7-yl)phosphane
CID 174915942
7,8-dihexylicosan-7-ylphosphane;hydrochloride
CID 173004507
7,8-dihexylicosan-7-ylphosphane
CID 18442252
9,10-dioctyloctadecan-9-ylphosphane
CID 18997725
8,9-diheptylhenicosan-8-ylphosphane
CID 87777798
(9-octyl-10-propyloctadecan-9-yl)phosphane;hydrochloride
CID 173158164
8,9-diheptylhexadecan-8-ylphosphane;hydroiodide
CID 173157506
3-methyl-2-phosphanylpentadecan-2-ol;hydrochloride
CID 173417592
2,3-dimethylnonan-2-ylphosphane;hydroiodide
CID 173158055
12-chloro-13-methyl-12-undecyltetracosane
CID 88839941

Frequently Asked Questions

What is the IUPAC name of (10-methyl-9-octyloctadecan-9-yl)phosphane;hydrobromide?
The IUPAC name of (10-methyl-9-octyloctadecan-9-yl)phosphane;hydrobromide (CID 173157963) is (10-methyl-9-octyloctadecan-9-yl)phosphane;hydrobromide.
What is the SMILES notation for (10-methyl-9-octyloctadecan-9-yl)phosphane;hydrobromide?
The canonical SMILES for (10-methyl-9-octyloctadecan-9-yl)phosphane;hydrobromide is Br.CCCCCCCCC(C)C(P)(CCCCCCCC)CCCCCCCC.
What is the InChIKey of (10-methyl-9-octyloctadecan-9-yl)phosphane;hydrobromide?
The InChIKey is IGHZGSJSHHMKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H57P.BrH/c1-5-8-11-14-17-20-23-26(4)27(28,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;/h26H,5-25,28H2,1-4H3;1H.
What are the key properties of (10-methyl-9-octyloctadecan-9-yl)phosphane;hydrobromide?
(10-methyl-9-octyloctadecan-9-yl)phosphane;hydrobromide has a molecular weight of 493.64 g/mol, XLogP of 11.07, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (10-methyl-9-octyloctadecan-9-yl)phosphane;hydrobromide is sourced from PubChem (CID 173157963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).