tris(cyclopentadecane);hydrobromide

C45H91Br — CID 175934407

IUPACtris(cyclopentadecane);hydrobromide
SMILESBr.C1CCCCCCCCCCCCCC1.C1CCCCCCCCCCCCCC1.C1CCCCCCCCCCCCCC1
InChIInChI=1S/3C15H30.BrH/c3*1-2-4-6-8-10-12-14-15-13-11-9-7-5-3-1;/h3*1-15H2;1H
InChIKeyGOEOKAYVLQFRMA-UHFFFAOYSA-N
MW712.13 g/mol
LogP18.13
Rot. Bonds

About tris(cyclopentadecane);hydrobromide

tris(cyclopentadecane);hydrobromide (PubChem CID 175934407) has the molecular formula C45H91Br and a molecular weight of 712.13 g/mol. Its IUPAC name is tris(cyclopentadecane);hydrobromide.

Molecular Properties

Compound Nametris(cyclopentadecane);hydrobromide
PubChem CID175934407
Molecular FormulaC45H91Br
Molecular Weight712.13 g/mol
Exact Mass710.63
IUPAC Nametris(cyclopentadecane);hydrobromide
SMILESBr.C1CCCCCCCCCCCCCC1.C1CCCCCCCCCCCCCC1.C1CCCCCCCCCCCCCC1
InChIInChI=1S/3C15H30.BrH/c3*1-2-4-6-8-10-12-14-15-13-11-9-7-5-3-1;/h3*1-15H2;1H
InChIKeyGOEOKAYVLQFRMA-UHFFFAOYSA-N
XLogP18.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.13
LogP ≤ 518.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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cyclooctane
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cycloheptane;silane
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bis(cyclopentane);hydrate
CID 19957864
cyclobutane;methane
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cyclopentane;phosphane
CID 70501903
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CID 158205110

Frequently Asked Questions

What is the IUPAC name of tris(cyclopentadecane);hydrobromide?
The IUPAC name of tris(cyclopentadecane);hydrobromide (CID 175934407) is tris(cyclopentadecane);hydrobromide.
What is the SMILES notation for tris(cyclopentadecane);hydrobromide?
The canonical SMILES for tris(cyclopentadecane);hydrobromide is Br.C1CCCCCCCCCCCCCC1.C1CCCCCCCCCCCCCC1.C1CCCCCCCCCCCCCC1.
What is the InChIKey of tris(cyclopentadecane);hydrobromide?
The InChIKey is GOEOKAYVLQFRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C15H30.BrH/c3*1-2-4-6-8-10-12-14-15-13-11-9-7-5-3-1;/h3*1-15H2;1H.
What are the key properties of tris(cyclopentadecane);hydrobromide?
tris(cyclopentadecane);hydrobromide has a molecular weight of 712.13 g/mol, XLogP of 18.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(cyclopentadecane);hydrobromide is sourced from PubChem (CID 175934407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).