7-hexyltridecan-7-ylphosphane;hydrobromide

C19H42BrP — CID 173158553

IUPAC7-hexyltridecan-7-ylphosphane;hydrobromide
SMILESBr.CCCCCCC(P)(CCCCCC)CCCCCC
InChIInChI=1S/C19H41P.BrH/c1-4-7-10-13-16-19(20,17-14-11-8-5-2)18-15-12-9-6-3;/h4-18,20H2,1-3H3;1H
InChIKeyMMYDHZJLGGVCSC-UHFFFAOYSA-N
MW381.42 g/mol
LogP8.09
Rot. Bonds15

About 7-hexyltridecan-7-ylphosphane;hydrobromide

7-hexyltridecan-7-ylphosphane;hydrobromide (PubChem CID 173158553) has the molecular formula C19H42BrP and a molecular weight of 381.42 g/mol. Its IUPAC name is 7-hexyltridecan-7-ylphosphane;hydrobromide.

Molecular Properties

Compound Name7-hexyltridecan-7-ylphosphane;hydrobromide
PubChem CID173158553
Molecular FormulaC19H42BrP
Molecular Weight381.42 g/mol
Exact Mass380.22
IUPAC Name7-hexyltridecan-7-ylphosphane;hydrobromide
SMILESBr.CCCCCCC(P)(CCCCCC)CCCCCC
InChIInChI=1S/C19H41P.BrH/c1-4-7-10-13-16-19(20,17-14-11-8-5-2)18-15-12-9-6-3;/h4-18,20H2,1-3H3;1H
InChIKeyMMYDHZJLGGVCSC-UHFFFAOYSA-N
XLogP8.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.42
LogP ≤ 58.09
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

12-undecyltricosan-12-ylphosphane
CID 21324491
7-butyltridecan-7-ylphosphane
CID 118892798
12-undecyltricosan-12-ylphosphane;hydrate
CID 173445625
13-dodecylpentacosan-13-ylphosphane;hydroiodide
CID 173401812
5-butylnonan-5-ylphosphane;phosphane;hydroiodide
CID 174377690
9-phosphanylheptacosan-9-ylphosphane
CID 174586813
2-pentyl-2-phosphanylpropane-1,3-diol
CID 87113603
9-octylheptadecan-9-ylphosphane;trifluoromethanesulfonic acid
CID 173110087
1-phosphanyloctane-1,1,2,2-tetrol;hydrobromide
CID 173367019
undecane;dihydrobromide
CID 172838591
2,2-dimethylundecane;hydrobromide
CID 172814192
9,9-dioctyloctadecane
CID 19690418

Frequently Asked Questions

What is the IUPAC name of 7-hexyltridecan-7-ylphosphane;hydrobromide?
The IUPAC name of 7-hexyltridecan-7-ylphosphane;hydrobromide (CID 173158553) is 7-hexyltridecan-7-ylphosphane;hydrobromide.
What is the SMILES notation for 7-hexyltridecan-7-ylphosphane;hydrobromide?
The canonical SMILES for 7-hexyltridecan-7-ylphosphane;hydrobromide is Br.CCCCCCC(P)(CCCCCC)CCCCCC.
What is the InChIKey of 7-hexyltridecan-7-ylphosphane;hydrobromide?
The InChIKey is MMYDHZJLGGVCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41P.BrH/c1-4-7-10-13-16-19(20,17-14-11-8-5-2)18-15-12-9-6-3;/h4-18,20H2,1-3H3;1H.
What are the key properties of 7-hexyltridecan-7-ylphosphane;hydrobromide?
7-hexyltridecan-7-ylphosphane;hydrobromide has a molecular weight of 381.42 g/mol, XLogP of 8.09, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hexyltridecan-7-ylphosphane;hydrobromide is sourced from PubChem (CID 173158553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).